[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C9H16F3NO — CID 99610237

IUPAC[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@H]1NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8-4-2-1-3-7(8)5-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1
InChIKeyCZJKBMADPQLTJX-JGVFFNPUSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 99610237) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID99610237
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@H]1NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8-4-2-1-3-7(8)5-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1
InChIKeyCZJKBMADPQLTJX-JGVFFNPUSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
CID 106361158
[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
CID 106543952
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclopentyl]methanol
CID 114178654
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103816678
3,3,3-trifluoro-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanoic acid
CID 106362475
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 99610237) is [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is OC[C@@H]1CCCC[C@H]1NCC(F)(F)F.
What is the InChIKey of [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is CZJKBMADPQLTJX-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-13-8-4-2-1-3-7(8)5-14/h7-8,13-14H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 99610237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).