(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone

C14H16F2O — CID 106829567

IUPAC(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H16F2O/c1-14(5-3-2-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3
InChIKeyKGRRLHKSYUVKIU-UHFFFAOYSA-N
MW238.28 g/mol
LogP4.12
Rot. Bonds2

About (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone

(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106829567) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
PubChem CID106829567
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C14H16F2O/c1-14(5-3-2-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3
InChIKeyKGRRLHKSYUVKIU-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
(3,5-difluorophenyl)-(2-methylthiolan-2-yl)methanone
CID 81451026
furan-3-yl-(1-methylcyclohexyl)methanone
CID 106829578
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
CID 106829738
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(1-methylcyclohexyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106826587

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone (CID 106829567) is (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2cc(F)cc(F)c2)CCCCC1.
What is the InChIKey of (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is KGRRLHKSYUVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-14(5-3-2-4-6-14)13(17)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone?
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 238.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).