[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid

C13H8BrF2O4P — CID 177375815

IUPAC[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(Br)c2oc3ccccc3c12
InChIInChI=1S/C13H8BrF2O4P/c14-9-6-5-8(13(15,16)21(17,18)19)11-7-3-1-2-4-10(7)20-12(9)11/h1-6H,(H2,17,18,19)
InChIKeyPUTLVLVMSVXIKL-UHFFFAOYSA-N
MW377.08 g/mol
LogP4.58
Rot. Bonds2

About [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid

[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid (PubChem CID 177375815) has the molecular formula C13H8BrF2O4P and a molecular weight of 377.08 g/mol. Its IUPAC name is [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid
PubChem CID177375815
Molecular FormulaC13H8BrF2O4P
Molecular Weight377.08 g/mol
Exact Mass375.93
IUPAC Name[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(Br)c2oc3ccccc3c12
InChIInChI=1S/C13H8BrF2O4P/c14-9-6-5-8(13(15,16)21(17,18)19)11-7-3-1-2-4-10(7)20-12(9)11/h1-6H,(H2,17,18,19)
InChIKeyPUTLVLVMSVXIKL-UHFFFAOYSA-N
XLogP4.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromodibenzo[b,d]furan
CID 458256
7-Bromo-2-phenyl-1-benzofuran
CID 16120366
Cdc14A/B-IN-1
CID 171714055
[Dibenzofuran-1-yl(difluoro)methyl]phosphonic acid
CID 177375814
[Difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid
CID 177375816
[difluoro-[4-[(E)-2-phenylethenyl]dibenzofuran-1-yl]methyl]phosphonic acid
CID 177375820
3,6-Dibromo-dibenzofuran
CID 526353
7-Bromo-5-fluoro-2-phenyl-1-benzofuran
CID 135075688
7-Bromo-4-(trifluoromethyl)benzofuran
CID 12114707
7-Bromo-5-fluoro-3,4-dimethylbenzofuran
CID 22144794
7-Bromo-5-fluoro-3-(3-fluoro-benzyl)-benzofuran
CID 59344909
7-Bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
CID 67184522

Frequently Asked Questions

What is the IUPAC name of [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid?
The IUPAC name of [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid (CID 177375815) is [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid.
What is the SMILES notation for [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid?
The canonical SMILES for [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid is O=P(O)(O)C(F)(F)c1ccc(Br)c2oc3ccccc3c12.
What is the InChIKey of [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid?
The InChIKey is PUTLVLVMSVXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2O4P/c14-9-6-5-8(13(15,16)21(17,18)19)11-7-3-1-2-4-10(7)20-12(9)11/h1-6H,(H2,17,18,19).
What are the key properties of [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid?
[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid has a molecular weight of 377.08 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid is sourced from PubChem (CID 177375815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).