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

C11H18F3NO — CID 106173802

IUPAC2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1=CCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)9-16-8-7-15-6-5-10-3-1-2-4-10/h3,15H,1-2,4-9H2
InChIKeyVEQOXPRFNWDZSV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.66
Rot. Bonds7

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

2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 106173802) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID106173802
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCC1=CCCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)9-16-8-7-15-6-5-10-3-1-2-4-10/h3,15H,1-2,4-9H2
InChIKeyVEQOXPRFNWDZSV-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.66
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
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-en-1-amine
CID 65703143
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-(cyclopenten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207514
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
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
N-[2-(2,2-difluoroethoxy)ethyl]hept-6-en-1-amine
CID 105910158

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 106173802) is 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is VEQOXPRFNWDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)9-16-8-7-15-6-5-10-3-1-2-4-10/h3,15H,1-2,4-9H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 237.26 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 106173802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).