(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride

C7H11FNP — CID 143620785

IUPAC(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride
SMILESC=C/C(C)=C\C(F)=N/CP
InChIInChI=1S/C7H11FNP/c1-3-6(2)4-7(8)9-5-10/h3-4H,1,5,10H2,2H3/b6-4-,9-7+
InChIKeyKXLNNGSOHDTPOU-UNQQQNFISA-N
MW159.14 g/mol
LogP2.32
Rot. Bonds3

About (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride

(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride (PubChem CID 143620785) has the molecular formula C7H11FNP and a molecular weight of 159.14 g/mol. Its IUPAC name is (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride
PubChem CID143620785
Molecular FormulaC7H11FNP
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride
SMILESC=C/C(C)=C\C(F)=N/CP
InChIInChI=1S/C7H11FNP/c1-3-6(2)4-7(8)9-5-10/h3-4H,1,5,10H2,2H3/b6-4-,9-7+
InChIKeyKXLNNGSOHDTPOU-UNQQQNFISA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N,3-dimethylpenta-2,4-dienimidoyl fluoride
CID 155735311
(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine
CID 155484713
(2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl iodide
CID 173911272

Frequently Asked Questions

What is the IUPAC name of (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride?
The IUPAC name of (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride (CID 143620785) is (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride.
What is the SMILES notation for (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride?
The canonical SMILES for (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride is C=C/C(C)=C\C(F)=N/CP.
What is the InChIKey of (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride?
The InChIKey is KXLNNGSOHDTPOU-UNQQQNFISA-N. The full InChI is InChI=1S/C7H11FNP/c1-3-6(2)4-7(8)9-5-10/h3-4H,1,5,10H2,2H3/b6-4-,9-7+.
What are the key properties of (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride?
(1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride has a molecular weight of 159.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z)-3-methyl-N-(phosphanylmethyl)penta-2,4-dienimidoyl fluoride is sourced from PubChem (CID 143620785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).