[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid

C14H8BrF4O3P — CID 177375813

IUPAC[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2
InChIInChI=1S/C14H8BrF4O3P/c15-8-2-4-10-9-3-1-7(14(18,19)23(20,21)22)5-11(9)13(16,17)12(10)6-8/h1-6H,(H2,20,21,22)
InChIKeyZXSZNVDQSRRNFG-UHFFFAOYSA-N
MW411.09 g/mol
LogP4.80
Rot. Bonds2

About [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid

[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid (PubChem CID 177375813) has the molecular formula C14H8BrF4O3P and a molecular weight of 411.09 g/mol. Its IUPAC name is [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid.

Molecular Properties

Compound Name[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid
PubChem CID177375813
Molecular FormulaC14H8BrF4O3P
Molecular Weight411.09 g/mol
Exact Mass409.93
IUPAC Name[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2
InChIInChI=1S/C14H8BrF4O3P/c15-8-2-4-10-9-3-1-7(14(18,19)23(20,21)22)5-11(9)13(16,17)12(10)6-8/h1-6H,(H2,20,21,22)
InChIKeyZXSZNVDQSRRNFG-UHFFFAOYSA-N
XLogP4.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.09
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid?
The IUPAC name of [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid (CID 177375813) is [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid.
What is the SMILES notation for [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid?
The canonical SMILES for [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid is O=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.
What is the InChIKey of [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid?
The InChIKey is ZXSZNVDQSRRNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4O3P/c15-8-2-4-10-9-3-1-7(14(18,19)23(20,21)22)5-11(9)13(16,17)12(10)6-8/h1-6H,(H2,20,21,22).
What are the key properties of [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid?
[(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid has a molecular weight of 411.09 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-bromo-9,9-difluorofluoren-2-yl)-difluoromethyl]phosphonic acid is sourced from PubChem (CID 177375813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).