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

C9H17F2NO — CID 104954609

IUPACtrans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H17F2NO/c1-12(6-9(10)11)7-4-2-3-5-8(7)13/h7-9,13H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMKKSYZIFGPMKSZ-HTQZYQBOSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds3

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

trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 104954609) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
PubChem CID104954609
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Nametrans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H17F2NO/c1-12(6-9(10)11)7-4-2-3-5-8(7)13/h7-9,13H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMKKSYZIFGPMKSZ-HTQZYQBOSA-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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Related Compounds

2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 115773222
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]-2-methylpropanenitrile
CID 102732026
trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 126846559
trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
CID 102734813
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
CID 104954571
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (CID 104954609) is trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is CN(CC(F)F)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is MKKSYZIFGPMKSZ-HTQZYQBOSA-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/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-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 trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 104954609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).