(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide

C8H10F5NO2 — CID 140947957

IUPAC(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCON(C)C(=O)/C=C(/C(C)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c1-7(9,10)5(8(11,12)13)4-6(15)14(2)16-3/h4H,1-3H3/b5-4-
InChIKeyJHLUZSFOGVRAAM-PLNGDYQASA-N
MW247.16 g/mol
LogP2.15
Rot. Bonds3

About (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide

(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 140947957) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide
PubChem CID140947957
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCON(C)C(=O)/C=C(/C(C)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F5NO2/c1-7(9,10)5(8(11,12)13)4-6(15)14(2)16-3/h4H,1-3H3/b5-4-
InChIKeyJHLUZSFOGVRAAM-PLNGDYQASA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide (CID 140947957) is (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide is CON(C)C(=O)/C=C(/C(C)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is JHLUZSFOGVRAAM-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10F5NO2/c1-7(9,10)5(8(11,12)13)4-6(15)14(2)16-3/h4H,1-3H3/b5-4-.
What are the key properties of (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide?
(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 247.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 140947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).