N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine

C9H16F3NO — CID 82709358

IUPACN-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCONC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-14-13-8-6-4-3-5-7(8)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyDFROPUWUTIGZIH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.65
Rot. Bonds3

About N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine

N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 82709358) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID82709358
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCONC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-14-13-8-6-4-3-5-7(8)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyDFROPUWUTIGZIH-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

N-ethoxy-2-methylcyclohexan-1-amine
CID 82709111
N-ethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82709453
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508980
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
N-ethoxy-2-ethylcyclohexan-1-amine
CID 64974958
N-ethoxy-2-methoxycyclohexan-1-amine
CID 82710281
[2-(ethoxyamino)cyclohexyl]methanol
CID 175246547
1-propoxy-2-(trifluoromethyl)cyclohexane
CID 162596564
N-ethoxy-2-(methylaminooxymethyl)cyclohexan-1-amine
CID 22090855
N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 114110401
1-methoxy-2-(trifluoromethyl)cyclohexane;hydrofluoride
CID 158258914

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine (CID 82709358) is N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine is CCONC1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DFROPUWUTIGZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-14-13-8-6-4-3-5-7(8)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine?
N-ethoxy-2-(trifluoromethyl)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 N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 82709358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).