benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

C65H92F10N2O5 — CID 160722664

IUPACbenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESC.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1
InChIInChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2.2CH4/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3;;/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3;2*1H4
InChIKeyRTHONMALTPHGPH-UHFFFAOYSA-N
MW1171.44 g/mol
LogP19.68
Rot. Bonds11

About benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine

benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 160722664) has the molecular formula C65H92F10N2O5 and a molecular weight of 1171.44 g/mol. Its IUPAC name is benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID160722664
Molecular FormulaC65H92F10N2O5
Molecular Weight1171.44 g/mol
Exact Mass1170.68
IUPAC Namebenzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESC.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1
InChIInChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2.2CH4/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3;;/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3;2*1H4
InChIKeyRTHONMALTPHGPH-UHFFFAOYSA-N
XLogP19.68
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.44
LogP ≤ 519.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 160722664) is benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccccn1.COCC(C)(C)O.COCC(O)C1CC1.c1ccccc1.
What is the InChIKey of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is RTHONMALTPHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O.C10H11F3.C9H10F3N.C9H11F.C8H11N.C6H12O2.C6H6.C5H12O2.2CH4/c1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9-8;1-8-4-6(7)5-2-3-5;1-2-4-6-5-3-1;1-5(2,6)4-7-3;;/h3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;5-7H,2-4H2,1H3;1-6H;6H,4H2,1-3H3;2*1H4.
What are the key properties of benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine?
benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 1171.44 g/mol, XLogP of 19.68, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-cyclopropyl-2-methoxyethanol;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methylpropan-2-ol;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 160722664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).