4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide

C10H15F3N2O2 — CID 79208300

IUPAC4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-17-4-3-15-9(16)7-1-2-8(14)5-7/h1-2,7-8H,3-6,14H2,(H,15,16)
InChIKeyDMVMCWWGPPHEEL-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79208300) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79208300
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)6-17-4-3-15-9(16)7-1-2-8(14)5-7/h1-2,7-8H,3-6,14H2,(H,15,16)
InChIKeyDMVMCWWGPPHEEL-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79207112
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208280
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79211046
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79211268
4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79211562
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 105646092
4-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 105646374
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 105909961
4-amino-N-(4,4,4-trifluorobutan-2-yl)cyclopent-2-ene-1-carboxamide
CID 105937654
4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 106176733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide (CID 79208300) is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCOCC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is DMVMCWWGPPHEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)6-17-4-3-15-9(16)7-1-2-8(14)5-7/h1-2,7-8H,3-6,14H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).