3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol

C10H19F2NO — CID 165490849

IUPAC3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CC(F)F
InChIInChI=1S/C10H19F2NO/c1-7-3-4-8(14)5-9(7)13(2)6-10(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyVLASYCLYKJOKMZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds3

About 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol

3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165490849) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165490849
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CC(F)F
InChIInChI=1S/C10H19F2NO/c1-7-3-4-8(14)5-9(7)13(2)6-10(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyVLASYCLYKJOKMZ-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
4-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608868
3-[[2-(Trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
CID 64758277
{4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl}methanol
CID 75433495
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 79618015
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618218
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618881
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618988
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79619207
[4-[Methyl(5,5,5-trifluoropentyl)amino]cyclohexyl]methanol
CID 109883023

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol (CID 165490849) is 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol is CC1CCC(O)CC1N(C)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is VLASYCLYKJOKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7-3-4-8(14)5-9(7)13(2)6-10(11)12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol?
3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165490849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).