2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate

C6H3F6O3- — CID 162679438

IUPAC2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate
SMILESO=C([O-])COC(F)(F)C(F)=CC(F)(F)F
InChIInChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)/p-1
InChIKeyZFZXIMMYKHEGKN-UHFFFAOYSA-M
MW237.07 g/mol
LogP0.76
Rot. Bonds4

About 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate

2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate (PubChem CID 162679438) has the molecular formula C6H3F6O3- and a molecular weight of 237.07 g/mol. Its IUPAC name is 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate.

Molecular Properties

Compound Name2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate
PubChem CID162679438
Molecular FormulaC6H3F6O3-
Molecular Weight237.07 g/mol
Exact Mass237.00
IUPAC Name2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate
SMILESO=C([O-])COC(F)(F)C(F)=CC(F)(F)F
InChIInChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)/p-1
InChIKeyZFZXIMMYKHEGKN-UHFFFAOYSA-M
XLogP0.76
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dHOPFLCA n=1
CID 139598175
U-PFCA(n1)
CID 155293418
1-O-(2-fluoroprop-2-enyl) 2-O-(2,2,2-trifluoroethyl) oxalate
CID 138664652
1-O-ethyl 2-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate
CID 138664702
1-O-[(Z)-3-fluoroprop-2-enyl] 2-O-(2,2,2-trifluoroethyl) oxalate
CID 138664705
2-O-[(E)-2,3,4,4,4-pentafluorobut-2-enyl] 1-O-[(Z)-3,4,4,4-tetrafluorobut-2-enyl] oxalate
CID 138664789
Bis(4,4,4-trifluorobut-2-enyl) oxalate
CID 142588406
1-O-methyl 2-O-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl] oxalate
CID 148630852
1-O-methyl 2-O-(4,4,4-trifluorobut-2-enyl) oxalate
CID 152650116
1-O-methyl 2-O-[(E)-4,4,4-trifluorobut-2-enyl] oxalate
CID 155045339
Bis[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl] oxalate
CID 155053260
1-O-ethyl 2-O-[(Z)-2,4,4,4-tetrafluorobut-2-enyl] oxalate
CID 155640776

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate?
The IUPAC name of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate (CID 162679438) is 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate.
What is the SMILES notation for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate?
The canonical SMILES for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate is O=C([O-])COC(F)(F)C(F)=CC(F)(F)F.
What is the InChIKey of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate?
The InChIKey is ZFZXIMMYKHEGKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F6O3/c7-3(1-5(8,9)10)6(11,12)15-2-4(13)14/h1H,2H2,(H,13,14)/p-1.
What are the key properties of 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate?
2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate has a molecular weight of 237.07 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,4,4,4-hexafluorobut-2-enoxy)acetate is sourced from PubChem (CID 162679438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).