1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid

C16H20F2O2 — CID 117453717

IUPAC1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCC(F)(F)Cc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20F2O2/c1-15(17,18)11-12-7-3-4-8-13(12)16(14(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)
InChIKeyGVVVMRAQHCKRJB-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.17
Rot. Bonds4

About 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid

1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117453717) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117453717
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCC(F)(F)Cc1ccccc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20F2O2/c1-15(17,18)11-12-7-3-4-8-13(12)16(14(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)
InChIKeyGVVVMRAQHCKRJB-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114104
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[2-(2,2-difluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117352883
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
1-[3-chloro-2-(1,1-difluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117487556
1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 105425261
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid (CID 117453717) is 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid is CC(F)(F)Cc1ccccc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is GVVVMRAQHCKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c1-15(17,18)11-12-7-3-4-8-13(12)16(14(19)20)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid?
1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117453717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).