2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene

C8H7F9O — CID 159474557

IUPAC2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene
SMILESCC1(CF)C(C(F)(F)F)OC1(F)F.FC=C(F)F
InChIInChI=1S/C6H6F6O.C2HF3/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5/h3H,2H2,1H3;1H
InChIKeyLWFHWTPWYLBDDY-UHFFFAOYSA-N
MW290.12 g/mol
LogP4.21
Rot. Bonds1

About 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene

2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene (PubChem CID 159474557) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene.

Molecular Properties

Compound Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene
PubChem CID159474557
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene
SMILESCC1(CF)C(C(F)(F)F)OC1(F)F.FC=C(F)F
InChIInChI=1S/C6H6F6O.C2HF3/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5/h3H,2H2,1H3;1H
InChIKeyLWFHWTPWYLBDDY-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene?
The IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene (CID 159474557) is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene.
What is the SMILES notation for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene?
The canonical SMILES for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene is CC1(CF)C(C(F)(F)F)OC1(F)F.FC=C(F)F.
What is the InChIKey of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene?
The InChIKey is LWFHWTPWYLBDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O.C2HF3/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5/h3H,2H2,1H3;1H.
What are the key properties of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene?
2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene has a molecular weight of 290.12 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene is sourced from PubChem (CID 159474557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).