1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one

C11H12ClFO2 — CID 106677607

IUPAC1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2
InChIKeyNUKXYAZUQNOLLV-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one

1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one (PubChem CID 106677607) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
PubChem CID106677607
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2
InChIKeyNUKXYAZUQNOLLV-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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1-(2-chloro-3-fluorophenyl)-4-(4-methylphenyl)butan-2-one
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1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
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2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
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5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
5-(2-aminoethyl)-1-(2-chloro-3-fluorophenyl)octan-2-one
CID 116582948
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
(2-chloro-3-fluorophenyl)methanethiol
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1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one (CID 106677607) is 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one is O=C(CCCO)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one?
The InChIKey is NUKXYAZUQNOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-11-8(3-1-5-10(11)13)7-9(15)4-2-6-14/h1,3,5,14H,2,4,6-7H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one?
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).