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

C10H16F3NO — CID 106174164

IUPAC2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESFC(F)(F)OCCNCCC1=CCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2
InChIKeyISDZPADJRHEBGQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.61
Rot. Bonds6

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

2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 106174164) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID106174164
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESFC(F)(F)OCCNCCC1=CCCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2
InChIKeyISDZPADJRHEBGQ-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.61
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
2-(cyclohexen-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62325992
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
2-(cyclohexen-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804511
5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607147
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607314
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 80605900
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
2-(cyclopenten-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106173802
3-[2-(Cyclopenten-1-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 106173825
(Z)-8,8,8-trifluoro-N-(2-methoxyethyl)-4-methyloct-3-en-1-amine
CID 113327558

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 106174164) is 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is FC(F)(F)OCCNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is ISDZPADJRHEBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
2-(cyclopenten-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 223.24 g/mol, XLogP of 2.61, 6 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-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 106174164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).