(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C19H18ClFO2 — CID 2371922

IUPAC(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H18ClFO2/c20-17-6-2-1-5-14(17)13-23-18(22)19(11-3-4-12-19)15-7-9-16(21)10-8-15/h1-2,5-10H,3-4,11-13H2
InChIKeyXAGPEKIZKGICBC-UHFFFAOYSA-N
MW332.80 g/mol
LogP5.03
Rot. Bonds4

About (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2371922) has the molecular formula C19H18ClFO2 and a molecular weight of 332.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2371922
Molecular FormulaC19H18ClFO2
Molecular Weight332.80 g/mol
Exact Mass332.10
IUPAC Name(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H18ClFO2/c20-17-6-2-1-5-14(17)13-23-18(22)19(11-3-4-12-19)15-7-9-16(21)10-8-15/h1-2,5-10H,3-4,11-13H2
InChIKeyXAGPEKIZKGICBC-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.80
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 2371922) is (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(OCc1ccccc1Cl)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is XAGPEKIZKGICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFO2/c20-17-6-2-1-5-14(17)13-23-18(22)19(11-3-4-12-19)15-7-9-16(21)10-8-15/h1-2,5-10H,3-4,11-13H2.
What are the key properties of (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
(2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 332.80 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2371922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).