4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C9H16F3NO — CID 16786580

IUPAC4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-2-3-7(13)8(4-6)14-5-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyXJIJAQZKHROURY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds2

About 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 16786580) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID16786580
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-2-3-7(13)8(4-6)14-5-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyXJIJAQZKHROURY-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-6-(trifluoromethyl)oxan-3-amine
CID 129076842
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 16228798
2-Propoxy-5-(trifluoromethyl)cyclohexanamine
CID 16228799
2-(2-Methoxyethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 16228800
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
(1S,2R,5R)-2-(2-methoxyethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28819191
(1S,2S,5R)-2-(2-methoxyethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28819193
(1S,2R,5S)-2-(2-methoxyethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28819195
(1S,2S,5S)-2-(2-methoxyethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28819197
(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 16786580) is 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CCC(N)C(OCC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is XJIJAQZKHROURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-2-3-7(13)8(4-6)14-5-9(10,11)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 16786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).