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

C9H12F4N2O — CID 106291498

IUPAC4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C9H12F4N2O/c10-8(11)9(12,13)4-15-7(16)5-1-2-6(14)3-5/h1-2,5-6,8H,3-4,14H2,(H,15,16)
InChIKeyOORMFBISKNYSMH-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 106291498) has the molecular formula C9H12F4N2O and a molecular weight of 240.20 g/mol. Its IUPAC name is 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide
PubChem CID106291498
Molecular FormulaC9H12F4N2O
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C9H12F4N2O/c10-8(11)9(12,13)4-15-7(16)5-1-2-6(14)3-5/h1-2,5-6,8H,3-4,14H2,(H,15,16)
InChIKeyOORMFBISKNYSMH-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-[3,5-difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohex-2-ene-1-carboxamide
CID 70892513
(4R)-4-amino-N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4,6-trienyl]cyclohex-2-ene-1-carboxamide
CID 89214781
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
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
N-(2-Cyclopenten-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 13040864
N-[(1S)-cyclopent-2-en-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14688655
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide (CID 106291498) is 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCC(F)(F)C(F)F)C1.
What is the InChIKey of 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is OORMFBISKNYSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2O/c10-8(11)9(12,13)4-15-7(16)5-1-2-6(14)3-5/h1-2,5-6,8H,3-4,14H2,(H,15,16).
What are the key properties of 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 240.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,3,3-tetrafluoropropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 106291498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).