1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

C9H16F3NO — CID 64758872

IUPAC1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-6-8(14)4-2-3-7(5-8)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyDIWGLQMOSUZWQH-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds2

About 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64758872) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64758872
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-6-8(14)4-2-3-7(5-8)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyDIWGLQMOSUZWQH-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758857
1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 113326765
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
2-benzyl-3-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1,1-dimethylguanidine
CID 122081938
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 136534123
1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
5-chloro-1-[(4-fluorophenyl)methyl]-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-methylpyrazole-4-carboxamide
CID 166233418
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64758872) is 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is CNCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is DIWGLQMOSUZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-6-8(14)4-2-3-7(5-8)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64758872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).