[2-(difluoromethyl)phenyl] dihydrogen phosphate

C7H7F2O4P — CID 69493795

IUPAC[2-(difluoromethyl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1C(F)F
InChIInChI=1S/C7H7F2O4P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyWTCLLPHCHXJMTO-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.10
Rot. Bonds3

About [2-(difluoromethyl)phenyl] dihydrogen phosphate

[2-(difluoromethyl)phenyl] dihydrogen phosphate (PubChem CID 69493795) has the molecular formula C7H7F2O4P and a molecular weight of 224.10 g/mol. Its IUPAC name is [2-(difluoromethyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-(difluoromethyl)phenyl] dihydrogen phosphate
PubChem CID69493795
Molecular FormulaC7H7F2O4P
Molecular Weight224.10 g/mol
Exact Mass224.01
IUPAC Name[2-(difluoromethyl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1C(F)F
InChIInChI=1S/C7H7F2O4P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyWTCLLPHCHXJMTO-UHFFFAOYSA-N
XLogP2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.10
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

[2-[1-fluoro-2-oxo-2-(propylamino)ethyl]phenyl] dihydrogen phosphate
CID 158731813
[2-[1-fluoro-2-(methylamino)-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717416
[2-[2-(tert-butylamino)-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 167060881
[2-(1-fluoro-6,6-dimethyl-2-oxoheptyl)phenyl] dihydrogen phosphate
CID 147919149
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
[2-[2-[[4-(tert-butylamino)-2,4-dimethylpentan-2-yl]amino]-1-fluoro-2-oxoethyl]phenyl] dihydrogen phosphate
CID 138717532
(2-fluorosulfonylphenyl) dihydrogen phosphate
CID 175215288
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
2-phosphonooxybenzenediazonium
CID 101390583
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)phenyl] dihydrogen phosphate?
The IUPAC name of [2-(difluoromethyl)phenyl] dihydrogen phosphate (CID 69493795) is [2-(difluoromethyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-(difluoromethyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [2-(difluoromethyl)phenyl] dihydrogen phosphate is O=P(O)(O)Oc1ccccc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)phenyl] dihydrogen phosphate?
The InChIKey is WTCLLPHCHXJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2O4P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4,7H,(H2,10,11,12).
What are the key properties of [2-(difluoromethyl)phenyl] dihydrogen phosphate?
[2-(difluoromethyl)phenyl] dihydrogen phosphate has a molecular weight of 224.10 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 69493795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).