2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C12H20F3NO — CID 62325992

IUPAC2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1=CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h4,16H,1-3,5-10H2
InChIKeyJUYVJMZOZAWJAL-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.05
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 62325992) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID62325992
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1=CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h4,16H,1-3,5-10H2
InChIKeyJUYVJMZOZAWJAL-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55061872
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733607
3-[2-(Cyclohexen-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63899845
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-en-1-amine
CID 65703143
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607314
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081284
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 62325992) is 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is JUYVJMZOZAWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-17-9-8-16-7-6-11-4-2-1-3-5-11/h4,16H,1-3,5-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 251.29 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 62325992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).