bromo(trifluoro)methane;phosphoric acid

CH3BrF3O4P — CID 172736690

IUPACbromo(trifluoro)methane;phosphoric acid
SMILESFC(F)(F)Br.O=P(O)(O)O
InChIInChI=1S/CBrF3.H3O4P/c2-1(3,4)5;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyINOGHYYYBJXMLP-UHFFFAOYSA-N
MW246.90 g/mol
LogP0.97
Rot. Bonds

About bromo(trifluoro)methane;phosphoric acid

bromo(trifluoro)methane;phosphoric acid (PubChem CID 172736690) has the molecular formula CH3BrF3O4P and a molecular weight of 246.90 g/mol. Its IUPAC name is bromo(trifluoro)methane;phosphoric acid.

Molecular Properties

Compound Namebromo(trifluoro)methane;phosphoric acid
PubChem CID172736690
Molecular FormulaCH3BrF3O4P
Molecular Weight246.90 g/mol
Exact Mass245.89
IUPAC Namebromo(trifluoro)methane;phosphoric acid
SMILESFC(F)(F)Br.O=P(O)(O)O
InChIInChI=1S/CBrF3.H3O4P/c2-1(3,4)5;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyINOGHYYYBJXMLP-UHFFFAOYSA-N
XLogP0.97
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.90
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromo(trifluoro)methane;phosphoric acid with MolForge

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

Launch Full Analysis

Related Compounds

[dibromo(fluoro)methyl]phosphonic acid
CID 143170448
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
sodium;phosphoric acid;1,1,1-trifluoroethane
CID 172730635
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
lithium;1,1,1,2,2-pentafluoroethane;phosphoric acid
CID 162308540
bromo(trifluoro)methane;propan-2-one
CID 174337129
methane;phosphoric acid
CID 18515646
phosphane;phosphoric acid
CID 173160232
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;titanium
CID 139211571
CID 159816390
CID 159816390

Frequently Asked Questions

What is the IUPAC name of bromo(trifluoro)methane;phosphoric acid?
The IUPAC name of bromo(trifluoro)methane;phosphoric acid (CID 172736690) is bromo(trifluoro)methane;phosphoric acid.
What is the SMILES notation for bromo(trifluoro)methane;phosphoric acid?
The canonical SMILES for bromo(trifluoro)methane;phosphoric acid is FC(F)(F)Br.O=P(O)(O)O.
What is the InChIKey of bromo(trifluoro)methane;phosphoric acid?
The InChIKey is INOGHYYYBJXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrF3.H3O4P/c2-1(3,4)5;1-5(2,3)4/h;(H3,1,2,3,4).
What are the key properties of bromo(trifluoro)methane;phosphoric acid?
bromo(trifluoro)methane;phosphoric acid has a molecular weight of 246.90 g/mol, XLogP of 0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trifluoro)methane;phosphoric acid is sourced from PubChem (CID 172736690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).