(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide

C7H12FNO2 — CID 138979622

IUPAC(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide
SMILESCC/C(F)=C/C(=O)N(C)OC
InChIInChI=1S/C7H12FNO2/c1-4-6(8)5-7(10)9(2)11-3/h5H,4H2,1-3H3/b6-5-
InChIKeyYOUDYBGDABKCEJ-WAYWQWQTSA-N
MW161.18 g/mol
LogP1.27
Rot. Bonds3

About (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide

(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide (PubChem CID 138979622) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide
PubChem CID138979622
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide
SMILESCC/C(F)=C/C(=O)N(C)OC
InChIInChI=1S/C7H12FNO2/c1-4-6(8)5-7(10)9(2)11-3/h5H,4H2,1-3H3/b6-5-
InChIKeyYOUDYBGDABKCEJ-WAYWQWQTSA-N
XLogP1.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.27
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)-3-fluoro-N-methoxy-N-methylpent-2-enamide?
The IUPAC name of (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide (CID 138979622) is (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide?
The canonical SMILES for (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide is CC/C(F)=C/C(=O)N(C)OC.
What is the InChIKey of (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide?
The InChIKey is YOUDYBGDABKCEJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-4-6(8)5-7(10)9(2)11-3/h5H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide?
(Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide has a molecular weight of 161.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-N-methoxy-N-methylpent-2-enamide is sourced from PubChem (CID 138979622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).