1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one

C11H12ClFO2 — CID 107884157

IUPAC1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
SMILESCCC(O)C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFO2/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,2,6H2,1H3
InChIKeyJCRVQSYMSDGDQC-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one

1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one (PubChem CID 107884157) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
PubChem CID107884157
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
SMILESCCC(O)C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFO2/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,2,6H2,1H3
InChIKeyJCRVQSYMSDGDQC-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-chloro-3-fluorophenyl)hexan-2-one
CID 107890466
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
1-(butan-2-ylamino)-3-(4-chloro-3-fluorophenyl)propan-2-one
CID 107889925
3-[(4-chloro-3-fluorophenyl)methyl]pentan-2-one
CID 107882807
3-amino-1-(3,4-dichlorophenyl)pentan-2-one
CID 116583907
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 59670759
1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
1-(4-chloro-3-fluorophenyl)-4-methylpent-3-en-2-one
CID 107884163
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one (CID 107884157) is 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one is CCC(O)C(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one?
The InChIKey is JCRVQSYMSDGDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,2,6H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one?
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one is sourced from PubChem (CID 107884157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).