2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan

C115H163ClF4N2O7S — CID 159824088

IUPAC2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
SMILESCC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(Cl)o1.CCc1ccc(C(C)C)o1.COc1ccccc1C(C)C.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)oc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1
InChIInChI=1S/C10H13F.C10H14O.3C10H14.C9H13N.2C9H14O.C8H9F3O.C8H12O.C8H12S.C7H9ClO.C7H11NO/c1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)9-5-7(3)8(4)10-9;1-4-8-5-6-9(10-8)7(2)3;1-5(2)6-3-4-7(12-6)8(9,10)11;2*1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-4-7(8)9-6;1-5(2)7-8-4-6(3)9-7/h4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3
InChIKeyNMPKRRGADMFQIF-UHFFFAOYSA-N
MW1829.09 g/mol
LogP38.41
Rot. Bonds15

About 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan

2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan (PubChem CID 159824088) has the molecular formula C115H163ClF4N2O7S and a molecular weight of 1829.09 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
PubChem CID159824088
Molecular FormulaC115H163ClF4N2O7S
Molecular Weight1829.09 g/mol
Exact Mass1827.18
IUPAC Name2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
SMILESCC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(Cl)o1.CCc1ccc(C(C)C)o1.COc1ccccc1C(C)C.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)oc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1
InChIInChI=1S/C10H13F.C10H14O.3C10H14.C9H13N.2C9H14O.C8H9F3O.C8H12O.C8H12S.C7H9ClO.C7H11NO/c1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)9-5-7(3)8(4)10-9;1-4-8-5-6-9(10-8)7(2)3;1-5(2)6-3-4-7(12-6)8(9,10)11;2*1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-4-7(8)9-6;1-5(2)7-8-4-6(3)9-7/h4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3
InChIKeyNMPKRRGADMFQIF-UHFFFAOYSA-N
XLogP38.41
TPSA113.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001829.09
LogP ≤ 538.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Cyclopentyloxy-3-ethylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-ethyl-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(furan-2-yl)-2-methylphenyl]-5-methyl-7-propan-2-ylsulfonylheptan-2-one;5-methyl-1-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 158360047
4-(7-Tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;2-[4-(7-tert-butylsulfonyl-5-methylheptyl)-3-methylphenyl]furan;2-[4-(7-tert-butylsulfonyl-5-methylheptyl)-3-methylphenyl]-1,3-oxazole
CID 159843776
1-Cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-(3-heptylphenyl)furan;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;octakis(propane-2-sulfinate)
CID 159955330
2-(7-Tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)
CID 160988835
1-Chloro-3,5-dimethyl-2-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylthiophene;deuterium monohydride;2-(difluoromethoxy)-4-methyl-1-propan-2-ylbenzene;2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-ethyl-4-methyl-1-propan-2-ylbenzene;1-fluoro-3,5-dimethyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;3-methoxy-5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylthiophene;4-methyl-1-propan-2-yl-2-(trifluoromethoxy)benzene;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 161072286
1-Cyclopentyloxy-2-ethyl-4-(7-propan-2-ylsulfonylheptyl)benzene;1-(2,3-dimethylcyclopentyl)oxy-4-(7-propan-2-ylsulfonylheptyl)benzene;3,4-dimethyl-2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine;2-ethyl-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;2-[3-methyl-4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]furan;2-[3-methyl-4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]-1,3-oxazole;4-methyl-2-[3-methyl-4-(7-propan-2-ylsulfonylheptyl)phenyl]thiophene;2-[3-(7-propan-2-ylsulfonylheptyl)phenyl]furan
CID 161748867
2-Chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan
CID 163922262
1-Tert-butyl-2-(2-chlorophenyl)benzene;1-tert-butyl-2-(3-chlorophenyl)benzene;1-tert-butyl-2-(3-fluorophenyl)benzene;2-(2-tert-butylphenyl)thiophene;2-(3-tert-butylphenyl)thiophene;1-fluoro-2-(2-propan-2-ylphenyl)benzene;2-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-oxazole
CID 159945702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan?
The IUPAC name of 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan (CID 159824088) is 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan.
What is the SMILES notation for 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan?
The canonical SMILES for 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan is CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(Cl)o1.CCc1ccc(C(C)C)o1.COc1ccccc1C(C)C.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)oc1C.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)o1.
What is the InChIKey of 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan?
The InChIKey is NMPKRRGADMFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H14O.3C10H14.C9H13N.2C9H14O.C8H9F3O.C8H12O.C8H12S.C7H9ClO.C7H11NO/c1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)9-5-7(3)8(4)10-9;1-4-8-5-6-9(10-8)7(2)3;1-5(2)6-3-4-7(12-6)8(9,10)11;2*1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-4-7(8)9-6;1-5(2)7-8-4-6(3)9-7/h4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3;5-7H,4H2,1-3H3;3-5H,1-2H3;2*4-6H,1-3H3;3-5H,1-2H3;4-5H,1-3H3.
What are the key properties of 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan?
2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan has a molecular weight of 1829.09 g/mol, XLogP of 38.41, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylfuran;2,3-dimethyl-5-propan-2-ylfuran;2-ethyl-5-propan-2-ylfuran;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan is sourced from PubChem (CID 159824088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).