(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid

C15H19FO2 — CID 51711852

IUPAC(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18)/t14-/m1/s1
InChIKeyFMSZDMSJKLPQBW-CQSZACIVSA-N
MW250.31 g/mol
LogP3.96
Rot. Bonds4

About (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid

(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid (PubChem CID 51711852) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
PubChem CID51711852
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18)/t14-/m1/s1
InChIKeyFMSZDMSJKLPQBW-CQSZACIVSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
3-(4-fluorophenyl)-3-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]propanoic acid
CID 167745127
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid (CID 51711852) is (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid is O=C(O)C[C@@H](c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid?
The InChIKey is FMSZDMSJKLPQBW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19FO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h6-9,11,14H,1-5,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid?
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid has a molecular weight of 250.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 51711852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).