2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid

C17H17FO3 — CID 103979712

IUPAC2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H17FO3/c18-15-9-8-13(10-4-1-2-5-11(10)15)16(19)12-6-3-7-14(12)17(20)21/h1-2,4-5,8-9,12,14,16,19H,3,6-7H2,(H,20,21)
InChIKeyRKJIHRMOWYMOAQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.51
Rot. Bonds3

About 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid

2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 103979712) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
PubChem CID103979712
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(O)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H17FO3/c18-15-9-8-13(10-4-1-2-5-11(10)15)16(19)12-6-3-7-14(12)17(20)21/h1-2,4-5,8-9,12,14,16,19H,3,6-7H2,(H,20,21)
InChIKeyRKJIHRMOWYMOAQ-UHFFFAOYSA-N
XLogP3.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 103979671
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
2-[(4-bromo-5-chloro-2-fluorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 105399251
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
CID 65157648
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
CID 91844833
2-(1,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486496
2-(2-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 82239796
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
2-cyclopropyl-1-(4-fluoronaphthalen-1-yl)propan-1-amine
CID 83155281

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid (CID 103979712) is 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(O)c1ccc(F)c2ccccc12.
What is the InChIKey of 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is RKJIHRMOWYMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-15-9-8-13(10-4-1-2-5-11(10)15)16(19)12-6-3-7-14(12)17(20)21/h1-2,4-5,8-9,12,14,16,19H,3,6-7H2,(H,20,21).
What are the key properties of 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid?
2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoronaphthalen-1-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).