benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C19H19FO2 — CID 2381331

IUPACbenzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H19FO2/c20-17-10-8-16(9-11-17)19(12-4-5-13-19)18(21)22-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
InChIKeyMBFIGNASTVHIHZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.38
Rot. Bonds4

About benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2381331) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2381331
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Namebenzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H19FO2/c20-17-10-8-16(9-11-17)19(12-4-5-13-19)18(21)22-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2
InChIKeyMBFIGNASTVHIHZ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
CID 142504088
(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23878313
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 18208076
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
(2-oxo-1,2-diphenylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23769015
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 2381331) is benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(OCc1ccccc1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is MBFIGNASTVHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c20-17-10-8-16(9-11-17)19(12-4-5-13-19)18(21)22-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2.
What are the key properties of benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2381331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).