[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane

C9H13F2N2P — CID 170191274

IUPAC[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane
SMILESC/C=c1/nc(C(F)(F)P)n(C)/c1=C/C
InChIInChI=1S/C9H13F2N2P/c1-4-6-7(5-2)13(3)8(12-6)9(10,11)14/h4-5H,14H2,1-3H3/b6-4+,7-5+
InChIKeyXBSWXRQFFRCCEM-YDFGWWAZSA-N
MW218.19 g/mol
LogP0.95
Rot. Bonds1

About [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane

[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane (PubChem CID 170191274) has the molecular formula C9H13F2N2P and a molecular weight of 218.19 g/mol. Its IUPAC name is [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane.

Molecular Properties

Compound Name[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane
PubChem CID170191274
Molecular FormulaC9H13F2N2P
Molecular Weight218.19 g/mol
Exact Mass218.08
IUPAC Name[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane
SMILESC/C=c1/nc(C(F)(F)P)n(C)/c1=C/C
InChIInChI=1S/C9H13F2N2P/c1-4-6-7(5-2)13(3)8(12-6)9(10,11)14/h4-5H,14H2,1-3H3/b6-4+,7-5+
InChIKeyXBSWXRQFFRCCEM-YDFGWWAZSA-N
XLogP0.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane?
The IUPAC name of [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane (CID 170191274) is [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane.
What is the SMILES notation for [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane?
The canonical SMILES for [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane is C/C=c1/nc(C(F)(F)P)n(C)/c1=C/C.
What is the InChIKey of [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane?
The InChIKey is XBSWXRQFFRCCEM-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H13F2N2P/c1-4-6-7(5-2)13(3)8(12-6)9(10,11)14/h4-5H,14H2,1-3H3/b6-4+,7-5+.
What are the key properties of [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane?
[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane has a molecular weight of 218.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane is sourced from PubChem (CID 170191274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).