3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one

C14H16ClFO — CID 103038591

IUPAC3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16ClFO/c15-12-9-10(5-7-13(12)16)6-8-14(17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2
InChIKeyAQNURJXISQSJKL-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.17
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one

3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one (PubChem CID 103038591) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
PubChem CID103038591
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16ClFO/c15-12-9-10(5-7-13(12)16)6-8-14(17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2
InChIKeyAQNURJXISQSJKL-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042704
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
5-(3-chloro-4-fluorophenyl)-1,1,1-trifluoropentan-2-one
CID 159945901

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one (CID 103038591) is 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one is O=C(CCc1ccc(F)c(Cl)c1)C1CCCC1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one?
The InChIKey is AQNURJXISQSJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c15-12-9-10(5-7-13(12)16)6-8-14(17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one?
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one has a molecular weight of 254.73 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one is sourced from PubChem (CID 103038591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).