1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid

C14H17FO3 — CID 82087901

IUPAC1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCOc2ccccc2F)CCCC1
InChIInChI=1S/C14H17FO3/c15-11-5-1-2-6-12(11)18-10-9-14(13(16)17)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,16,17)
InChIKeyLZBTZPRVCFBVJB-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid

1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 82087901) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID82087901
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCOc2ccccc2F)CCCC1
InChIInChI=1S/C14H17FO3/c15-11-5-1-2-6-12(11)18-10-9-14(13(16)17)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,16,17)
InChIKeyLZBTZPRVCFBVJB-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167804
1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152563
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545014
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol
CID 99792178
4-(2-fluorophenoxy)butan-2-one
CID 28948853
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
1-[2-[2-(4-cyano-1-formylpiperidin-4-yl)-6-fluorophenoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123437152
3-fluoro-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258328
3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3584642
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid (CID 82087901) is 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CCOc2ccccc2F)CCCC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is LZBTZPRVCFBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-11-5-1-2-6-12(11)18-10-9-14(13(16)17)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,16,17).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82087901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).