1-difluorophosphoryloxy-2-fluoro-4-methylbenzene

C7H6F3O2P — CID 87221961

IUPAC1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
SMILESCc1ccc(OP(=O)(F)F)c(F)c1
InChIInChI=1S/C7H6F3O2P/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4H,1H3
InChIKeyITIVMAAMAMBUIN-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.56
Rot. Bonds2

About 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene

1-difluorophosphoryloxy-2-fluoro-4-methylbenzene (PubChem CID 87221961) has the molecular formula C7H6F3O2P and a molecular weight of 210.09 g/mol. Its IUPAC name is 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
PubChem CID87221961
Molecular FormulaC7H6F3O2P
Molecular Weight210.09 g/mol
Exact Mass210.01
IUPAC Name1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
SMILESCc1ccc(OP(=O)(F)F)c(F)c1
InChIInChI=1S/C7H6F3O2P/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4H,1H3
InChIKeyITIVMAAMAMBUIN-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
(2-fluoro-4-methylphenoxy)methanesulfinamide
CID 142961172
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
CID 157188616
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570

Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene?
The IUPAC name of 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene (CID 87221961) is 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene.
What is the SMILES notation for 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene?
The canonical SMILES for 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene is Cc1ccc(OP(=O)(F)F)c(F)c1.
What is the InChIKey of 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene?
The InChIKey is ITIVMAAMAMBUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3O2P/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4H,1H3.
What are the key properties of 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene?
1-difluorophosphoryloxy-2-fluoro-4-methylbenzene has a molecular weight of 210.09 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxy-2-fluoro-4-methylbenzene is sourced from PubChem (CID 87221961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).