2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite

C7H13F7O6S2 — CID 91603376

IUPAC2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite
SMILESC=COCF.FCOF.O=S(=O)(F)CCF.O=S(=O)(F)CF
InChIInChI=1S/C3H5FO.C2H4F2O2S.CH2F2O2S.CH2F2O/c1-2-5-3-4;3-1-2-7(4,5)6;2-1-6(3,4)5;2-1-4-3/h2H,1,3H2;1-2H2;1H2;1H2
InChIKeyDOUKGLDWYJJOMK-UHFFFAOYSA-N
MW390.30 g/mol
LogP2.36
Rot. Bonds6

About 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite

2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite (PubChem CID 91603376) has the molecular formula C7H13F7O6S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite.

Molecular Properties

Compound Name2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite
PubChem CID91603376
Molecular FormulaC7H13F7O6S2
Molecular Weight390.30 g/mol
Exact Mass390.00
IUPAC Name2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite
SMILESC=COCF.FCOF.O=S(=O)(F)CCF.O=S(=O)(F)CF
InChIInChI=1S/C3H5FO.C2H4F2O2S.CH2F2O2S.CH2F2O/c1-2-5-3-4;3-1-2-7(4,5)6;2-1-6(3,4)5;2-1-4-3/h2H,1,3H2;1-2H2;1H2;1H2
InChIKeyDOUKGLDWYJJOMK-UHFFFAOYSA-N
XLogP2.36
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite?
The IUPAC name of 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite (CID 91603376) is 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite.
What is the SMILES notation for 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite?
The canonical SMILES for 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite is C=COCF.FCOF.O=S(=O)(F)CCF.O=S(=O)(F)CF.
What is the InChIKey of 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite?
The InChIKey is DOUKGLDWYJJOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO.C2H4F2O2S.CH2F2O2S.CH2F2O/c1-2-5-3-4;3-1-2-7(4,5)6;2-1-6(3,4)5;2-1-4-3/h2H,1,3H2;1-2H2;1H2;1H2.
What are the key properties of 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite?
2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite has a molecular weight of 390.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite is sourced from PubChem (CID 91603376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).