bis(difluoromethoxy)phosphorylmethanol

C3H5F4O4P — CID 175360209

IUPACbis(difluoromethoxy)phosphorylmethanol
SMILESO=P(CO)(OC(F)F)OC(F)F
InChIInChI=1S/C3H5F4O4P/c4-2(5)10-12(9,1-8)11-3(6)7/h2-3,8H,1H2
InChIKeyKYMCRGCOCNBEDK-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.61
Rot. Bonds5

About bis(difluoromethoxy)phosphorylmethanol

bis(difluoromethoxy)phosphorylmethanol (PubChem CID 175360209) has the molecular formula C3H5F4O4P and a molecular weight of 212.03 g/mol. Its IUPAC name is bis(difluoromethoxy)phosphorylmethanol.

Molecular Properties

Compound Namebis(difluoromethoxy)phosphorylmethanol
PubChem CID175360209
Molecular FormulaC3H5F4O4P
Molecular Weight212.03 g/mol
Exact Mass211.99
IUPAC Namebis(difluoromethoxy)phosphorylmethanol
SMILESO=P(CO)(OC(F)F)OC(F)F
InChIInChI=1S/C3H5F4O4P/c4-2(5)10-12(9,1-8)11-3(6)7/h2-3,8H,1H2
InChIKeyKYMCRGCOCNBEDK-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(difluoromethoxy)phosphorylmethanol?
The IUPAC name of bis(difluoromethoxy)phosphorylmethanol (CID 175360209) is bis(difluoromethoxy)phosphorylmethanol.
What is the SMILES notation for bis(difluoromethoxy)phosphorylmethanol?
The canonical SMILES for bis(difluoromethoxy)phosphorylmethanol is O=P(CO)(OC(F)F)OC(F)F.
What is the InChIKey of bis(difluoromethoxy)phosphorylmethanol?
The InChIKey is KYMCRGCOCNBEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4O4P/c4-2(5)10-12(9,1-8)11-3(6)7/h2-3,8H,1H2.
What are the key properties of bis(difluoromethoxy)phosphorylmethanol?
bis(difluoromethoxy)phosphorylmethanol has a molecular weight of 212.03 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluoromethoxy)phosphorylmethanol is sourced from PubChem (CID 175360209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).