(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate

C6H4F4O3 — CID 57375646

IUPAC(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate
SMILESFOc1ccc(F)c(OF)c1F.O
InChIInChI=1S/C6H2F4O2.H2O/c7-3-1-2-4(11-9)5(8)6(3)12-10;/h1-2H;1H2
InChIKeySNUUHOPSMFPFTL-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.67
Rot. Bonds2

About (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate

(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate (PubChem CID 57375646) has the molecular formula C6H4F4O3 and a molecular weight of 200.09 g/mol. Its IUPAC name is (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate.

Molecular Properties

Compound Name(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate
PubChem CID57375646
Molecular FormulaC6H4F4O3
Molecular Weight200.09 g/mol
Exact Mass200.01
IUPAC Name(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate
SMILESFOc1ccc(F)c(OF)c1F.O
InChIInChI=1S/C6H2F4O2.H2O/c7-3-1-2-4(11-9)5(8)6(3)12-10;/h1-2H;1H2
InChIKeySNUUHOPSMFPFTL-UHFFFAOYSA-N
XLogP1.67
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate?
The IUPAC name of (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate (CID 57375646) is (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate.
What is the SMILES notation for (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate?
The canonical SMILES for (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate is FOc1ccc(F)c(OF)c1F.O.
What is the InChIKey of (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate?
The InChIKey is SNUUHOPSMFPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O2.H2O/c7-3-1-2-4(11-9)5(8)6(3)12-10;/h1-2H;1H2.
What are the key properties of (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate?
(2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate has a molecular weight of 200.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-fluorooxyphenyl) hypofluorite;hydrate is sourced from PubChem (CID 57375646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).