5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid

C17H22F2O2 — CID 28931302

IUPAC5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22F2O2/c18-17(19,12-4-7-16(20)21)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13H,1-7,12H2,(H,20,21)
InChIKeyZEHQYDOJCLPNBY-UHFFFAOYSA-N
MW296.36 g/mol
LogP5.08
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid

5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid (PubChem CID 28931302) has the molecular formula C17H22F2O2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
PubChem CID28931302
Molecular FormulaC17H22F2O2
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H22F2O2/c18-17(19,12-4-7-16(20)21)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13H,1-7,12H2,(H,20,21)
InChIKeyZEHQYDOJCLPNBY-UHFFFAOYSA-N
XLogP5.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
3,3-difluoro-3-[4-(4-methylcyclohexyl)phenyl]propanoic acid
CID 162547919
5-(4-ethoxyphenyl)-5,5-difluoropentanoic acid
CID 28931296
3-(4-cyclohexylphenyl)sulfanylpropanoic acid
CID 116852839
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
6,6-difluoro-6-[4-(2-methylbutan-2-yl)phenyl]hexanoic acid
CID 66258604
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 3753475
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid?
The IUPAC name of 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid (CID 28931302) is 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid?
The canonical SMILES for 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid is O=C(O)CCCC(F)(F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid?
The InChIKey is ZEHQYDOJCLPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O2/c18-17(19,12-4-7-16(20)21)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13H,1-7,12H2,(H,20,21).
What are the key properties of 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid?
5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid has a molecular weight of 296.36 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid is sourced from PubChem (CID 28931302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).