4-(5-chloro-2-fluorophenyl)cyclohexan-1-one

C12H12ClFO — CID 116963365

IUPAC4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H12ClFO/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8H,1-2,4-5H2
InChIKeyREFCJNSZMJWNKS-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.71
Rot. Bonds1

About 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one

4-(5-chloro-2-fluorophenyl)cyclohexan-1-one (PubChem CID 116963365) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
PubChem CID116963365
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H12ClFO/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8H,1-2,4-5H2
InChIKeyREFCJNSZMJWNKS-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64521922
4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
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4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
4-(5-chloro-2-fluorophenyl)azetidin-2-one
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4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660
3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
CID 130044708
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-one
CID 103050383
3-(5-chloro-2-methoxyphenyl)cycloheptan-1-one
CID 64504327

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one (CID 116963365) is 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one is O=C1CCC(c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one?
The InChIKey is REFCJNSZMJWNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one?
4-(5-chloro-2-fluorophenyl)cyclohexan-1-one has a molecular weight of 226.68 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 116963365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).