(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol

C6H11FO2 — CID 130240920

IUPAC(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol
SMILESCOC(O)/C=C(\C)CF
InChIInChI=1S/C6H11FO2/c1-5(4-7)3-6(8)9-2/h3,6,8H,4H2,1-2H3/b5-3+
InChIKeyZZCTXDOJVNDPAG-HWKANZROSA-N
MW134.15 g/mol
LogP0.87
Rot. Bonds3

About (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol

(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol (PubChem CID 130240920) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol
PubChem CID130240920
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol
SMILESCOC(O)/C=C(\C)CF
InChIInChI=1S/C6H11FO2/c1-5(4-7)3-6(8)9-2/h3,6,8H,4H2,1-2H3/b5-3+
InChIKeyZZCTXDOJVNDPAG-HWKANZROSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol (CID 130240920) is (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol is COC(O)/C=C(\C)CF.
What is the InChIKey of (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol?
The InChIKey is ZZCTXDOJVNDPAG-HWKANZROSA-N. The full InChI is InChI=1S/C6H11FO2/c1-5(4-7)3-6(8)9-2/h3,6,8H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol?
(E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol has a molecular weight of 134.15 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-1-methoxy-3-methylbut-2-en-1-ol is sourced from PubChem (CID 130240920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).