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

C9H16F3NO — CID 82710885

IUPAC4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7-2-4-8(5-3-7)13-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLTNPYEQACUVILY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.65
Rot. Bonds3

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

4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82710885) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82710885
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(NOCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7-2-4-8(5-3-7)13-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLTNPYEQACUVILY-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Cyclohexylmethyl)(ethoxy)amine
CID 54173625
N-methoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82706422
N-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 82706976
N-methoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 82707060
N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82709358
N-ethoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709538
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82709736
N-(2-methylpropoxy)-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709929
N-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 82710071
4-methyl-N-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 82710666
2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82710685
2-cyclohexyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710866

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82710885) is 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CCC(NOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is LTNPYEQACUVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-2-4-8(5-3-7)13-14-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82710885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).