4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

C12H19F3N2O — CID 79210324

IUPAC4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h4-5,9-10H,2-3,6-8,16H2,1H3
InChIKeyDGRNSCAITTTZEN-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds5

About 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210324) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210324
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H19F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h4-5,9-10H,2-3,6-8,16H2,1H3
InChIKeyDGRNSCAITTTZEN-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
CID 70892520
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
(3S)-4-amino-N-[(Z,2S,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]-3-fluoropentanamide
CID 163952641
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
CID 51080879
4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207052
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207067
(4-Aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79207068
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79207112
(4-Aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 79207218
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208280

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79210324) is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DGRNSCAITTTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-3-6-17(8-12(13,14)15)11(18)9-4-5-10(16)7-9/h4-5,9-10H,2-3,6-8,16H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).