benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate

C20H21FO3 — CID 142504088

IUPACbenzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(OCF)cc2)CCCC1
InChIInChI=1S/C20H21FO3/c21-15-24-18-10-8-17(9-11-18)20(12-4-5-13-20)19(22)23-14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2
InChIKeyQGYHWDXMYALFLT-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.55
Rot. Bonds6

About benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate

benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate (PubChem CID 142504088) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
PubChem CID142504088
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Namebenzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(OCF)cc2)CCCC1
InChIInChI=1S/C20H21FO3/c21-15-24-18-10-8-17(9-11-18)20(12-4-5-13-20)19(22)23-14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2
InChIKeyQGYHWDXMYALFLT-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 3344195
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
[4-[(E)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl] 1-(4-hydroxyphenyl)cyclohexane-1-carboxylate
CID 58611854
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
(4-methoxyphenyl) 1-[4-(phenylmethoxycarbamoyl)phenyl]cyclohexane-1-carboxylate
CID 87731590
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
(2-phenyl-1,3-thiazol-4-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 23878313
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
1-O-benzyl 1-O'-(iodomethyl) cyclobutane-1,1-dicarboxylate
CID 102602708

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate (CID 142504088) is benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate is O=C(OCc1ccccc1)C1(c2ccc(OCF)cc2)CCCC1.
What is the InChIKey of benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate?
The InChIKey is QGYHWDXMYALFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c21-15-24-18-10-8-17(9-11-18)20(12-4-5-13-20)19(22)23-14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2.
What are the key properties of benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate?
benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate has a molecular weight of 328.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 142504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).