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

C8H11F3N2O — CID 79211562

IUPAC4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h1-2,5-6H,3-4,12H2,(H,13,14)
InChIKeyWPNNYCZKJJSAMN-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.57
Rot. Bonds2

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

4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211562) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211562
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h1-2,5-6H,3-4,12H2,(H,13,14)
InChIKeyWPNNYCZKJJSAMN-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
CID 172877856
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
5-(Trifluoromethyl)-1,3,3a,7a-tetrahydroindol-2-one
CID 68402594
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
2,2,2-trifluoro-N-[(1R)-4-methylcyclohex-2-en-1-yl]acetamide
CID 141893727
(3S)-4-amino-N-[(Z,2S,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]-3-fluoropentanamide
CID 163952641
(5S)-5-ethyl-3-fluoro-3-[(E)-prop-1-enyl]pyrrolidin-2-one
CID 167119665
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
N-(2-Cyclopenten-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 13040864

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide (CID 79211562) is 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WPNNYCZKJJSAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)4-13-7(14)5-1-2-6(12)3-5/h1-2,5-6H,3-4,12H2,(H,13,14).
What are the key properties of 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 208.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).