(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone

C15H19F2NO — CID 79066034

IUPAC(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2c(F)cccc2F)CCCCC1
InChIInChI=1S/C15H19F2NO/c1-18(2)15(9-4-3-5-10-15)14(19)13-11(16)7-6-8-12(13)17/h6-8H,3-5,9-10H2,1-2H3
InChIKeyXSDILMDSLJMSCQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.41
Rot. Bonds3

About (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone

(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone (PubChem CID 79066034) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
PubChem CID79066034
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
SMILESCN(C)C1(C(=O)c2c(F)cccc2F)CCCCC1
InChIInChI=1S/C15H19F2NO/c1-18(2)15(9-4-3-5-10-15)14(19)13-11(16)7-6-8-12(13)17/h6-8H,3-5,9-10H2,1-2H3
InChIKeyXSDILMDSLJMSCQ-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone (CID 79066034) is (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone is CN(C)C1(C(=O)c2c(F)cccc2F)CCCCC1.
What is the InChIKey of (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
The InChIKey is XSDILMDSLJMSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-18(2)15(9-4-3-5-10-15)14(19)13-11(16)7-6-8-12(13)17/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone?
(2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone has a molecular weight of 267.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[1-(dimethylamino)cyclohexyl]methanone is sourced from PubChem (CID 79066034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).