1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol

C9H16F3NO — CID 60899407

IUPAC1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-6-8(14)4-2-1-3-5-8/h13-14H,1-7H2
InChIKeyGVWLJCHXLFVGBR-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds3

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

1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol (PubChem CID 60899407) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
PubChem CID60899407
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-6-8(14)4-2-1-3-5-8/h13-14H,1-7H2
InChIKeyGVWLJCHXLFVGBR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol (CID 60899407) is 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol is OC1(CNCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The InChIKey is GVWLJCHXLFVGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-13-6-8(14)4-2-1-3-5-8/h13-14H,1-7H2.
What are the key properties of 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 60899407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).