bis(difluoromethyl)phosphoryl-difluoromethane

C3H3F6OP — CID 23415890

IUPACbis(difluoromethyl)phosphoryl-difluoromethane
SMILESO=P(C(F)F)(C(F)F)C(F)F
InChIInChI=1S/C3H3F6OP/c4-1(5)11(10,2(6)7)3(8)9/h1-3H
InChIKeyUCQYFCQREPZURO-UHFFFAOYSA-N
MW200.02 g/mol
LogP3.02
Rot. Bonds3

About bis(difluoromethyl)phosphoryl-difluoromethane

bis(difluoromethyl)phosphoryl-difluoromethane (PubChem CID 23415890) has the molecular formula C3H3F6OP and a molecular weight of 200.02 g/mol. Its IUPAC name is bis(difluoromethyl)phosphoryl-difluoromethane.

Molecular Properties

Compound Namebis(difluoromethyl)phosphoryl-difluoromethane
PubChem CID23415890
Molecular FormulaC3H3F6OP
Molecular Weight200.02 g/mol
Exact Mass199.98
IUPAC Namebis(difluoromethyl)phosphoryl-difluoromethane
SMILESO=P(C(F)F)(C(F)F)C(F)F
InChIInChI=1S/C3H3F6OP/c4-1(5)11(10,2(6)7)3(8)9/h1-3H
InChIKeyUCQYFCQREPZURO-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tris(trifluoromethyl)phosphine oxide
CID 12844541
Bis(trifluoromethyl)phosphine oxide
CID 129773232
Phosphinic chloride, bis[trifluoromethyl]-
CID 13410718
Methyl-oxo-(trifluoromethyl)phosphanium
CID 23235752
Fluorobis(trifluoromethyl)phosphine oxide
CID 23236111
Trifluoro-[methyl(trifluoromethyl)phosphoryl]methane
CID 23418443

Frequently Asked Questions

What is the IUPAC name of bis(difluoromethyl)phosphoryl-difluoromethane?
The IUPAC name of bis(difluoromethyl)phosphoryl-difluoromethane (CID 23415890) is bis(difluoromethyl)phosphoryl-difluoromethane.
What is the SMILES notation for bis(difluoromethyl)phosphoryl-difluoromethane?
The canonical SMILES for bis(difluoromethyl)phosphoryl-difluoromethane is O=P(C(F)F)(C(F)F)C(F)F.
What is the InChIKey of bis(difluoromethyl)phosphoryl-difluoromethane?
The InChIKey is UCQYFCQREPZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6OP/c4-1(5)11(10,2(6)7)3(8)9/h1-3H.
What are the key properties of bis(difluoromethyl)phosphoryl-difluoromethane?
bis(difluoromethyl)phosphoryl-difluoromethane has a molecular weight of 200.02 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluoromethyl)phosphoryl-difluoromethane is sourced from PubChem (CID 23415890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).