[dibromo(fluoro)methyl]phosphonic acid

CH2Br2FO3P — CID 143170448

IUPAC[dibromo(fluoro)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(Br)Br
InChIInChI=1S/CH2Br2FO3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKeyDCTDPPBXNJASDW-UHFFFAOYSA-N
MW271.80 g/mol
LogP1.53
Rot. Bonds1

About [dibromo(fluoro)methyl]phosphonic acid

[dibromo(fluoro)methyl]phosphonic acid (PubChem CID 143170448) has the molecular formula CH2Br2FO3P and a molecular weight of 271.80 g/mol. Its IUPAC name is [dibromo(fluoro)methyl]phosphonic acid.

Molecular Properties

Compound Name[dibromo(fluoro)methyl]phosphonic acid
PubChem CID143170448
Molecular FormulaCH2Br2FO3P
Molecular Weight271.80 g/mol
Exact Mass269.81
IUPAC Name[dibromo(fluoro)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(Br)Br
InChIInChI=1S/CH2Br2FO3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKeyDCTDPPBXNJASDW-UHFFFAOYSA-N
XLogP1.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo(trifluoro)methane;phosphoric acid
CID 172736690
1,1-difluoroethylphosphonic acid
CID 23183684
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
[[[difluoro(phosphono)methyl]-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
CID 102047871
1,1,2,2,2-pentafluoroethylphosphonic acid dichloride
CID 53432341
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
1,1,1,2,2,3,4,4,5,5,5-undecafluoropentan-3-ylphosphonic acid
CID 87154822
sodium;phosphoric acid;1,1,1-trifluoroethane
CID 172730635
triphosphonomethylphosphonic acid
CID 23341767
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
benzene;difluorophosphinic acid
CID 175464766

Frequently Asked Questions

What is the IUPAC name of [dibromo(fluoro)methyl]phosphonic acid?
The IUPAC name of [dibromo(fluoro)methyl]phosphonic acid (CID 143170448) is [dibromo(fluoro)methyl]phosphonic acid.
What is the SMILES notation for [dibromo(fluoro)methyl]phosphonic acid?
The canonical SMILES for [dibromo(fluoro)methyl]phosphonic acid is O=P(O)(O)C(F)(Br)Br.
What is the InChIKey of [dibromo(fluoro)methyl]phosphonic acid?
The InChIKey is DCTDPPBXNJASDW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Br2FO3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7).
What are the key properties of [dibromo(fluoro)methyl]phosphonic acid?
[dibromo(fluoro)methyl]phosphonic acid has a molecular weight of 271.80 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dibromo(fluoro)methyl]phosphonic acid is sourced from PubChem (CID 143170448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).