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

C11H12ClFO2 — CID 106677671

IUPAC1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-4-3-9(13)6-8(11)7-10(15)2-1-5-14/h3-4,6,14H,1-2,5,7H2
InChIKeyZUUBIELNRHXXAV-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds5

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

1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one (PubChem CID 106677671) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
PubChem CID106677671
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-4-3-9(13)6-8(11)7-10(15)2-1-5-14/h3-4,6,14H,1-2,5,7H2
InChIKeyZUUBIELNRHXXAV-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

1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
1-(2-chloro-5-fluorophenyl)-4-(ethylamino)butan-2-one
CID 102622099
1-(2-chloro-5-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 102622334
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
1-(2-chloro-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446364
1-(2-chloro-5-fluorophenyl)-3-propoxypropan-2-one
CID 102617636
1-(2-chloro-5-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214455
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one (CID 106677671) is 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one is O=C(CCCO)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one?
The InChIKey is ZUUBIELNRHXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-11-4-3-9(13)6-8(11)7-10(15)2-1-5-14/h3-4,6,14H,1-2,5,7H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one?
1-(2-chloro-5-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-5-fluorophenyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).