1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene

C186H252F10N6O2 — CID 159749458

IUPAC1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESC.C.CC(C)c1cc(C(F)(F)F)ccc1F.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.C13H19NO.C12H18.C10H10F4.C10H11F3.3C10H13F.4C9H13N.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-10H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;4*4-7H,1-3H3;2*1H4
InChIKeyNDLULVVOGVIUGY-UHFFFAOYSA-N
MW2794.08 g/mol
LogP57.68
Rot. Bonds24

About 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159749458) has the molecular formula C186H252F10N6O2 and a molecular weight of 2794.08 g/mol. Its IUPAC name is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID159749458
Molecular FormulaC186H252F10N6O2
Molecular Weight2794.08 g/mol
Exact Mass2791.96
IUPAC Name1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESC.C.CC(C)c1cc(C(F)(F)F)ccc1F.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.C13H19NO.C12H18.C10H10F4.C10H11F3.3C10H13F.4C9H13N.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-10H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;4*4-7H,1-3H3;2*1H4
InChIKeyNDLULVVOGVIUGY-UHFFFAOYSA-N
XLogP57.68
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms204
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002794.08
LogP ≤ 557.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159749458) is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene is C.C.CC(C)c1cc(C(F)(F)F)ccc1F.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccn1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is NDLULVVOGVIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.C14H21N.C14H20.C13H19NO.C12H18.C10H10F4.C10H11F3.3C10H13F.4C9H13N.2CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-9(2)11-6-5-7-12(8-11)10(3)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-4-5-8(3)10(9)11;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;5-10H,1-4H3;3-6H,1-2H3;3-7H,1-2H3;3*4-7H,1-3H3;4*4-7H,1-3H3;2*1H4.
What are the key properties of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene?
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 2794.08 g/mol, XLogP of 57.68, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;methane;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159749458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).