(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide

C8H12F3NO2 — CID 129050764

IUPAC(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
SMILESCON(C)C(=O)/C=C(\C)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h4H,5H2,1-3H3/b6-4+
InChIKeyOFCQVVPQRRKVNO-GQCTYLIASA-N
MW211.18 g/mol
LogP1.90
Rot. Bonds3

About (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide

(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide (PubChem CID 129050764) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
PubChem CID129050764
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
SMILESCON(C)C(=O)/C=C(\C)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h4H,5H2,1-3H3/b6-4+
InChIKeyOFCQVVPQRRKVNO-GQCTYLIASA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.90
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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Related Compounds

(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide
CID 138979622
(2Z,3E)-2-ethylidene-3-fluoro-N-methoxy-N-methylhexa-3,5-dienamide
CID 88885633
2-(4,4-difluorocyclohexylidene)-N-methoxy-N-methylacetamide
CID 117762604
3-(3,4-difluorocyclohexa-1,5-dien-1-yl)-N-methoxy-N-methylprop-2-enamide
CID 123501676
(E)-4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide
CID 129050709
(Z)-4,4-difluoro-N-methoxy-N-methyl-3-(trifluoromethyl)pent-2-enamide
CID 140947957
4,4,4-trifluoro-N-methoxy-N,3-dimethylbut-2-enamide
CID 173683754
5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide
CID 173683758
(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
CID 162574267
(2E)-N-methoxy-N,3,7-trimethyl-2,6-octadienamide
CID 14418367
N-methoxy-N,3,7-trimethylocta-2,6-dienamide
CID 72731170
2-fluoro-N-methoxy-N,3-dimethylbut-2-enamide;3-fluoro-4-methylpent-3-en-2-one
CID 158368253

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide?
The IUPAC name of (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide (CID 129050764) is (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide.
What is the SMILES notation for (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide?
The canonical SMILES for (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide is CON(C)C(=O)/C=C(\C)CC(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide?
The InChIKey is OFCQVVPQRRKVNO-GQCTYLIASA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide?
(E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide has a molecular weight of 211.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-N-methoxy-N,3-dimethylpent-2-enamide is sourced from PubChem (CID 129050764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).