(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide

C7H9F3N2O — CID 146323214

IUPAC(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide
SMILESC=C(N)/C=C(/F)C(=O)NCC(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(11)2-5(8)7(13)12-3-6(9)10/h2,6H,1,3,11H2,(H,12,13)/b5-2+
InChIKeyVSJPTTTVJUIXBH-GORDUTHDSA-N
MW194.16 g/mol
LogP0.69
Rot. Bonds4

About (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide

(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide (PubChem CID 146323214) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide
PubChem CID146323214
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide
SMILESC=C(N)/C=C(/F)C(=O)NCC(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(11)2-5(8)7(13)12-3-6(9)10/h2,6H,1,3,11H2,(H,12,13)/b5-2+
InChIKeyVSJPTTTVJUIXBH-GORDUTHDSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 60922538
5-Amino-3-fluoropyridin-2-ol
CID 70221424
1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
CID 69343595
(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
(E)-N-[(2Z)-2-aminopenta-2,4-dienyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 121464234
5-(Methylamino)-1-(trifluoromethyl)pyridin-2-one
CID 123383374
(Z)-3-amino-4,4,4-trifluoro-N-propan-2-ylbut-2-enamide
CID 141996910
5-Amino-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 146309484
5-Amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 146309500
N-ethylbutan-1-amine;6-(trifluoromethyl)-1H-pyridin-2-one
CID 177207116
5-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 60725597
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 62490808

Frequently Asked Questions

What is the IUPAC name of (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide?
The IUPAC name of (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide (CID 146323214) is (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide?
The canonical SMILES for (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide is C=C(N)/C=C(/F)C(=O)NCC(F)F.
What is the InChIKey of (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide?
The InChIKey is VSJPTTTVJUIXBH-GORDUTHDSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4(11)2-5(8)7(13)12-3-6(9)10/h2,6H,1,3,11H2,(H,12,13)/b5-2+.
What are the key properties of (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide?
(2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide has a molecular weight of 194.16 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-amino-N-(2,2-difluoroethyl)-2-fluoropenta-2,4-dienamide is sourced from PubChem (CID 146323214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).