1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one

C26H32F2O — CID 142331621

IUPAC1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCCCC1CCC(c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)CC1
InChIInChI=1S/C26H32F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h11-18H,5-10H2,1-4H3
InChIKeyCFWRFXTZEJUDTC-UHFFFAOYSA-N
MW398.54 g/mol
LogP7.93
Rot. Bonds5

About 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one

1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 142331621) has the molecular formula C26H32F2O and a molecular weight of 398.54 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID142331621
Molecular FormulaC26H32F2O
Molecular Weight398.54 g/mol
Exact Mass398.24
IUPAC Name1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCCCC1CCC(c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)CC1
InChIInChI=1S/C26H32F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h11-18H,5-10H2,1-4H3
InChIKeyCFWRFXTZEJUDTC-UHFFFAOYSA-N
XLogP7.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331721
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331585
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860
1-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331692
2,3-difluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethenyl]phenyl]-4-(4-propylcyclohexyl)benzene
CID 77470859

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one (CID 142331621) is 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one is CCCC1CCC(c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)CC1.
What is the InChIKey of 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is CFWRFXTZEJUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h11-18H,5-10H2,1-4H3.
What are the key properties of 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 398.54 g/mol, XLogP of 7.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 142331621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).