2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane

C5H4F8O — CID 19001110

IUPAC2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c1-14-5(12,13)3(8,2(6)7)4(9,10)11/h2H,1H3
InChIKeyUWWFXKFDAJXYCK-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds3

About 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane

2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane (PubChem CID 19001110) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane
PubChem CID19001110
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c1-14-5(12,13)3(8,2(6)7)4(9,10)11/h2H,1H3
InChIKeyUWWFXKFDAJXYCK-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane 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-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane (CID 19001110) is 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane is COC(F)(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The InChIKey is UWWFXKFDAJXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c1-14-5(12,13)3(8,2(6)7)4(9,10)11/h2H,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane?
2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,2,3,3-hexafluoro-3-methoxypropane is sourced from PubChem (CID 19001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).