[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane

C10H13F2N2OP — CID 167046907

IUPAC[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane
SMILESCC/C(=C\C=C(/C)C(F)(F)P)c1ncon1
InChIInChI=1S/C10H13F2N2OP/c1-3-8(9-13-6-15-14-9)5-4-7(2)10(11,12)16/h4-6H,3,16H2,1-2H3/b7-4+,8-5+
InChIKeyLNTXYXWAEMUYFE-NSLJXJERSA-N
MW246.20 g/mol
LogP3.28
Rot. Bonds4

About [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane

[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane (PubChem CID 167046907) has the molecular formula C10H13F2N2OP and a molecular weight of 246.20 g/mol. Its IUPAC name is [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane.

Molecular Properties

Compound Name[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane
PubChem CID167046907
Molecular FormulaC10H13F2N2OP
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Name[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane
SMILESCC/C(=C\C=C(/C)C(F)(F)P)c1ncon1
InChIInChI=1S/C10H13F2N2OP/c1-3-8(9-13-6-15-14-9)5-4-7(2)10(11,12)16/h4-6H,3,16H2,1-2H3/b7-4+,8-5+
InChIKeyLNTXYXWAEMUYFE-NSLJXJERSA-N
XLogP3.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane?
The IUPAC name of [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane (CID 167046907) is [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane.
What is the SMILES notation for [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane?
The canonical SMILES for [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane is CC/C(=C\C=C(/C)C(F)(F)P)c1ncon1.
What is the InChIKey of [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane?
The InChIKey is LNTXYXWAEMUYFE-NSLJXJERSA-N. The full InChI is InChI=1S/C10H13F2N2OP/c1-3-8(9-13-6-15-14-9)5-4-7(2)10(11,12)16/h4-6H,3,16H2,1-2H3/b7-4+,8-5+.
What are the key properties of [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane?
[(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane has a molecular weight of 246.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-1,1-difluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)hepta-2,4-dienyl]phosphane is sourced from PubChem (CID 167046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).