2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid

C13H15FO3 — CID 18922154

IUPAC2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FO3/c14-11-8-4-3-7-10(11)13(17,12(15)16)9-5-1-2-6-9/h3-4,7-9,17H,1-2,5-6H2,(H,15,16)
InChIKeySCIHHLAFVQCEMH-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.29
Rot. Bonds3

About 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid

2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 18922154) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
PubChem CID18922154
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)(c1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FO3/c14-11-8-4-3-7-10(11)13(17,12(15)16)9-5-1-2-6-9/h3-4,7-9,17H,1-2,5-6H2,(H,15,16)
InChIKeySCIHHLAFVQCEMH-UHFFFAOYSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
CID 67469384
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
CID 18922125
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
2-(cyclobutylamino)-2-(2-fluorophenyl)propanoic acid
CID 115001938
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxy-N-[1-(4-methylpentyl)piperidin-4-yl]acetamide
CID 18922144
1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
CID 123725623
tert-butylcyclohexane;1-tert-butyl-2-fluorobenzene;methane
CID 167625825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid (CID 18922154) is 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)(c1ccccc1F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is SCIHHLAFVQCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-11-8-4-3-7-10(11)13(17,12(15)16)9-5-1-2-6-9/h3-4,7-9,17H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid?
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 18922154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).