3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

C9H16F3NO — CID 79618218

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)(F)F)C1CCCC(O)C1
InChIInChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7-8,14H,2-6H2,1H3
InChIKeyKFONIGXNPSYQDL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds2

About 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 79618218) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID79618218
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)(F)F)C1CCCC(O)C1
InChIInChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7-8,14H,2-6H2,1H3
InChIKeyKFONIGXNPSYQDL-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 79618218) is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is CN(CC(F)(F)F)C1CCCC(O)C1.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is KFONIGXNPSYQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79618218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).