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

C9H17F2NO — CID 115773222

IUPAC2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)C1CCCCC1O
InChIInChI=1S/C9H17F2NO/c1-12(6-9(10)11)7-4-2-3-5-8(7)13/h7-9,13H,2-6H2,1H3
InChIKeyMKKSYZIFGPMKSZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds3

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

2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 115773222) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
PubChem CID115773222
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)C1CCCCC1O
InChIInChI=1S/C9H17F2NO/c1-12(6-9(10)11)7-4-2-3-5-8(7)13/h7-9,13H,2-6H2,1H3
InChIKeyMKKSYZIFGPMKSZ-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (CID 115773222) is 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is CN(CC(F)F)C1CCCCC1O.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is MKKSYZIFGPMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12(6-9(10)11)7-4-2-3-5-8(7)13/h7-9,13H,2-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 115773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).