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

C9H14F3N — CID 106173856

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1=CCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)7-13-6-5-8-3-1-2-4-8/h3,13H,1-2,4-7H2
InChIKeyWCYGLONQGWNHRF-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.64
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 106173856) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID106173856
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCC1=CCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)7-13-6-5-8-3-1-2-4-8/h3,13H,1-2,4-7H2
InChIKeyWCYGLONQGWNHRF-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-(3,3,3-Trifluoropropylidene)piperidine
CID 66803203
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
CID 143153059
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
CID 146536778
ethane;3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 162764925
(2R)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699458
2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699487
(2S)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699489

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 106173856) is N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is WCYGLONQGWNHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)7-13-6-5-8-3-1-2-4-8/h3,13H,1-2,4-7H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 193.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 106173856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).