cyclohexyl-(3,5-difluorophenyl)methanone

C13H14F2O — CID 24724213

IUPACcyclohexyl-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C13H14F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGKEGXRUFPBGGPQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.73
Rot. Bonds2

About cyclohexyl-(3,5-difluorophenyl)methanone

cyclohexyl-(3,5-difluorophenyl)methanone (PubChem CID 24724213) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is cyclohexyl-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,5-difluorophenyl)methanone
PubChem CID24724213
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Namecyclohexyl-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C13H14F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGKEGXRUFPBGGPQ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
(3,5-difluorophenyl)-(oxan-4-yl)methanone
CID 63936069
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
[4-(aminomethyl)cyclohexyl]-(3,5-difluorophenyl)methanone
CID 116592503
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
3-cyclooctyl-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 65018721
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,5-difluorophenyl)methanone?
The IUPAC name of cyclohexyl-(3,5-difluorophenyl)methanone (CID 24724213) is cyclohexyl-(3,5-difluorophenyl)methanone.
What is the SMILES notation for cyclohexyl-(3,5-difluorophenyl)methanone?
The canonical SMILES for cyclohexyl-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,5-difluorophenyl)methanone?
The InChIKey is GKEGXRUFPBGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of cyclohexyl-(3,5-difluorophenyl)methanone?
cyclohexyl-(3,5-difluorophenyl)methanone has a molecular weight of 224.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 24724213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).