azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate

C7H3F6NO5 — CID 174774596

IUPACazane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate
SMILESN.O=C(OF)c1c(F)c(OF)c(OF)c(OF)c1F
InChIInChI=1S/C7F6O5.H3N/c8-2-1(7(14)18-13)3(9)5(16-11)6(17-12)4(2)15-10;/h;1H3
InChIKeyPTWFDTRGMSULRC-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.96
Rot. Bonds4

About azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate

azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate (PubChem CID 174774596) has the molecular formula C7H3F6NO5 and a molecular weight of 295.09 g/mol. Its IUPAC name is azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate.

Molecular Properties

Compound Nameazane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate
PubChem CID174774596
Molecular FormulaC7H3F6NO5
Molecular Weight295.09 g/mol
Exact Mass294.99
IUPAC Nameazane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate
SMILESN.O=C(OF)c1c(F)c(OF)c(OF)c(OF)c1F
InChIInChI=1S/C7F6O5.H3N/c8-2-1(7(14)18-13)3(9)5(16-11)6(17-12)4(2)15-10;/h;1H3
InChIKeyPTWFDTRGMSULRC-UHFFFAOYSA-N
XLogP2.96
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate?
The IUPAC name of azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate (CID 174774596) is azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate.
What is the SMILES notation for azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate?
The canonical SMILES for azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate is N.O=C(OF)c1c(F)c(OF)c(OF)c(OF)c1F.
What is the InChIKey of azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate?
The InChIKey is PTWFDTRGMSULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F6O5.H3N/c8-2-1(7(14)18-13)3(9)5(16-11)6(17-12)4(2)15-10;/h;1H3.
What are the key properties of azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate?
azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate has a molecular weight of 295.09 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoro 2,6-difluoro-3,4,5-trifluorooxybenzoate is sourced from PubChem (CID 174774596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).