[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium

C6H8FNV — CID 177190065

IUPAC[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium
SMILESCC/C=N/C=C(/F)C=[V]
InChIInChI=1S/C6H8FN.V/c1-3-4-8-5-6(2)7;/h2,4-5H,3H2,1H3;/b6-5+,8-4+;
InChIKeyWDTVMWKLYVGXMX-JHUZSEPTSA-N
MW164.08 g/mol
LogP1.63
Rot. Bonds3

About [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium

[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium (PubChem CID 177190065) has the molecular formula C6H8FNV and a molecular weight of 164.08 g/mol. Its IUPAC name is [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium.

Molecular Properties

Compound Name[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium
PubChem CID177190065
Molecular FormulaC6H8FNV
Molecular Weight164.08 g/mol
Exact Mass164.01
IUPAC Name[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium
SMILESCC/C=N/C=C(/F)C=[V]
InChIInChI=1S/C6H8FN.V/c1-3-4-8-5-6(2)7;/h2,4-5H,3H2,1H3;/b6-5+,8-4+;
InChIKeyWDTVMWKLYVGXMX-JHUZSEPTSA-N
XLogP1.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium?
The IUPAC name of [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium (CID 177190065) is [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium.
What is the SMILES notation for [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium?
The canonical SMILES for [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium is CC/C=N/C=C(/F)C=[V].
What is the InChIKey of [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium?
The InChIKey is WDTVMWKLYVGXMX-JHUZSEPTSA-N. The full InChI is InChI=1S/C6H8FN.V/c1-3-4-8-5-6(2)7;/h2,4-5H,3H2,1H3;/b6-5+,8-4+;.
What are the key properties of [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium?
[(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium has a molecular weight of 164.08 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluoro-3-(propylideneamino)prop-2-enylidene]vanadium is sourced from PubChem (CID 177190065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).