N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide

C9H14F2N2O — CID 114383367

IUPACN-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC=CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-7/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyMCUPMBCOYTZQQZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.66
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide

N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide (PubChem CID 114383367) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide
PubChem CID114383367
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CC=CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-7/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyMCUPMBCOYTZQQZ-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,2-difluoropropyl)cyclopent-3-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

N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
(2S)-2-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 138550312
(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
CID 166767269
N-(2-Cyclopenten-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 13040864
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
CID 51080879
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71866672
4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207052
4-amino-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79211562

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide (CID 114383367) is N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide is NCC(F)(F)CNC(=O)C1CC=CC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is MCUPMBCOYTZQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11,5-12)6-13-8(14)7-3-1-2-4-7/h1-2,7H,3-6,12H2,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide?
N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 114383367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).