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

C11H12ClFO — CID 83988319

IUPAC1-(5-chloro-2-fluorophenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFO/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7H,2-4H2,1H3
InChIKeyFNVBRUCPHSNWOO-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.85
Rot. Bonds4

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

1-(5-chloro-2-fluorophenyl)pentan-1-one (PubChem CID 83988319) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)pentan-1-one
PubChem CID83988319
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-(5-chloro-2-fluorophenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFO/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7H,2-4H2,1H3
InChIKeyFNVBRUCPHSNWOO-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2-chloro-4,5-difluorophenyl)pentan-1-one
CID 15001812
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-1-one
CID 114885174
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(4-chloro-2,5-difluorophenyl)undecan-1-one
CID 114968948
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)pentan-1-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)pentan-1-one (CID 83988319) is 1-(5-chloro-2-fluorophenyl)pentan-1-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)pentan-1-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)pentan-1-one is CCCCC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)pentan-1-one?
The InChIKey is FNVBRUCPHSNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7H,2-4H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)pentan-1-one?
1-(5-chloro-2-fluorophenyl)pentan-1-one has a molecular weight of 214.67 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)pentan-1-one is sourced from PubChem (CID 83988319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).