bis(trifluoromethyl)phosphoryl-trifluoromethane

C3F9OP — CID 12844541

IUPACbis(trifluoromethyl)phosphoryl-trifluoromethane
SMILESO=P(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9OP/c4-1(5,6)14(13,2(7,8)9)3(10,11)12
InChIKeyMJGQAMZTHDRLBQ-UHFFFAOYSA-N
MW253.99 g/mol
LogP3.91
Rot. Bonds

About bis(trifluoromethyl)phosphoryl-trifluoromethane

bis(trifluoromethyl)phosphoryl-trifluoromethane (PubChem CID 12844541) has the molecular formula C3F9OP and a molecular weight of 253.99 g/mol. Its IUPAC name is bis(trifluoromethyl)phosphoryl-trifluoromethane.

Molecular Properties

Compound Namebis(trifluoromethyl)phosphoryl-trifluoromethane
PubChem CID12844541
Molecular FormulaC3F9OP
Molecular Weight253.99 g/mol
Exact Mass253.95
IUPAC Namebis(trifluoromethyl)phosphoryl-trifluoromethane
SMILESO=P(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F9OP/c4-1(5,6)14(13,2(7,8)9)3(10,11)12
InChIKeyMJGQAMZTHDRLBQ-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.99
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(trifluoromethyl)phosphoryl-trifluoromethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethyl)phosphoryl-trifluoromethane?
The IUPAC name of bis(trifluoromethyl)phosphoryl-trifluoromethane (CID 12844541) is bis(trifluoromethyl)phosphoryl-trifluoromethane.
What is the SMILES notation for bis(trifluoromethyl)phosphoryl-trifluoromethane?
The canonical SMILES for bis(trifluoromethyl)phosphoryl-trifluoromethane is O=P(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethyl)phosphoryl-trifluoromethane?
The InChIKey is MJGQAMZTHDRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F9OP/c4-1(5,6)14(13,2(7,8)9)3(10,11)12.
What are the key properties of bis(trifluoromethyl)phosphoryl-trifluoromethane?
bis(trifluoromethyl)phosphoryl-trifluoromethane has a molecular weight of 253.99 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethyl)phosphoryl-trifluoromethane is sourced from PubChem (CID 12844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).