4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one

C13H14F2O — CID 83261542

IUPAC4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H14F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9H,1-2,4-5,7H2
InChIKeySYPHEJHTYHKSDJ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.27
Rot. Bonds2

About 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one

4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one (PubChem CID 83261542) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
PubChem CID83261542
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H14F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9H,1-2,4-5,7H2
InChIKeySYPHEJHTYHKSDJ-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-one
CID 103050383
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
4-[(2,5-difluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240084
3-[(2,5-difluorophenyl)methyl]-5-methylpiperidine
CID 106777987
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
CID 63472389

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one (CID 83261542) is 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one is O=C1CCC(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one?
The InChIKey is SYPHEJHTYHKSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h3,6,8-9H,1-2,4-5,7H2.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one?
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one has a molecular weight of 224.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 83261542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).