2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C12H22F3NO — CID 54961752

IUPAC2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h11,16H,1-10H2
InChIKeyKNYBZEJKUCYNJL-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds7

About 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 54961752) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID54961752
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h11,16H,1-10H2
InChIKeyKNYBZEJKUCYNJL-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
N-[(4,4-difluorocyclohexyl)methyl]oxan-3-amine
CID 128268753
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54937801
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962027
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 54961752) is 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is KNYBZEJKUCYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h11,16H,1-10H2.
What are the key properties of 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 54961752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).