1-difluorophosphoryloxy-1,1,2-trifluoropropane

C3H4F5O2P — CID 87221893

IUPAC1-difluorophosphoryloxy-1,1,2-trifluoropropane
SMILESCC(F)C(F)(F)OP(=O)(F)F
InChIInChI=1S/C3H4F5O2P/c1-2(4)3(5,6)10-11(7,8)9/h2H,1H3
InChIKeyOQQBOXABWOWHOS-UHFFFAOYSA-N
MW198.03 g/mol
LogP3.00
Rot. Bonds3

About 1-difluorophosphoryloxy-1,1,2-trifluoropropane

1-difluorophosphoryloxy-1,1,2-trifluoropropane (PubChem CID 87221893) has the molecular formula C3H4F5O2P and a molecular weight of 198.03 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-1,1,2-trifluoropropane.

Molecular Properties

Compound Name1-difluorophosphoryloxy-1,1,2-trifluoropropane
PubChem CID87221893
Molecular FormulaC3H4F5O2P
Molecular Weight198.03 g/mol
Exact Mass197.99
IUPAC Name1-difluorophosphoryloxy-1,1,2-trifluoropropane
SMILESCC(F)C(F)(F)OP(=O)(F)F
InChIInChI=1S/C3H4F5O2P/c1-2(4)3(5,6)10-11(7,8)9/h2H,1H3
InChIKeyOQQBOXABWOWHOS-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 53.00
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 1-difluorophosphoryloxy-1,1,2-trifluoropropane?
The IUPAC name of 1-difluorophosphoryloxy-1,1,2-trifluoropropane (CID 87221893) is 1-difluorophosphoryloxy-1,1,2-trifluoropropane.
What is the SMILES notation for 1-difluorophosphoryloxy-1,1,2-trifluoropropane?
The canonical SMILES for 1-difluorophosphoryloxy-1,1,2-trifluoropropane is CC(F)C(F)(F)OP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxy-1,1,2-trifluoropropane?
The InChIKey is OQQBOXABWOWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5O2P/c1-2(4)3(5,6)10-11(7,8)9/h2H,1H3.
What are the key properties of 1-difluorophosphoryloxy-1,1,2-trifluoropropane?
1-difluorophosphoryloxy-1,1,2-trifluoropropane has a molecular weight of 198.03 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-1,1,2-trifluoropropane is sourced from PubChem (CID 87221893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).