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

C10H15F9O — CID 158007863

IUPAC2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene
SMILESC.C.CC1(CF)C(C(F)(F)F)OC1(F)F.FC=C(F)F
InChIInChI=1S/C6H6F6O.C2HF3.2CH4/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5;;/h3H,2H2,1H3;1H;2*1H4
InChIKeyFEMYNPDVOSTJIP-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.48
Rot. Bonds1

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

2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene (PubChem CID 158007863) has the molecular formula C10H15F9O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene.

Molecular Properties

Compound Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene
PubChem CID158007863
Molecular FormulaC10H15F9O
Molecular Weight322.21 g/mol
Exact Mass322.10
IUPAC Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene
SMILESC.C.CC1(CF)C(C(F)(F)F)OC1(F)F.FC=C(F)F
InChIInChI=1S/C6H6F6O.C2HF3.2CH4/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5;;/h3H,2H2,1H3;1H;2*1H4
InChIKeyFEMYNPDVOSTJIP-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene?
The IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene (CID 158007863) is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene.
What is the SMILES notation for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene?
The canonical SMILES for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene is C.C.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;methane;1,1,2-trifluoroethene?
The InChIKey is FEMYNPDVOSTJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O.C2HF3.2CH4/c1-4(2-7)3(5(8,9)10)13-6(4,11)12;3-1-2(4)5;;/h3H,2H2,1H3;1H;2*1H4.
What are the key properties of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene?
2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene has a molecular weight of 322.21 g/mol, XLogP of 5.48, 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;methane;1,1,2-trifluoroethene is sourced from PubChem (CID 158007863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).