4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one

C9H15F2NO — CID 79120672

IUPAC4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CC(F)F)C1CCC(=O)CC1
InChIInChI=1S/C9H15F2NO/c1-12(6-9(10)11)7-2-4-8(13)5-3-7/h7,9H,2-6H2,1H3
InChIKeyHWCFGPNMBLPLKX-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.70
Rot. Bonds3

About 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one

4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one (PubChem CID 79120672) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one
PubChem CID79120672
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one
SMILESCN(CC(F)F)C1CCC(=O)CC1
InChIInChI=1S/C9H15F2NO/c1-12(6-9(10)11)7-2-4-8(13)5-3-7/h7,9H,2-6H2,1H3
InChIKeyHWCFGPNMBLPLKX-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one (CID 79120672) is 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one is CN(CC(F)F)C1CCC(=O)CC1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is HWCFGPNMBLPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-12(6-9(10)11)7-2-4-8(13)5-3-7/h7,9H,2-6H2,1H3.
What are the key properties of 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one?
4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 191.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).