2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane

C9H6F12O — CID 89254684

IUPAC2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane
SMILESCC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,11)5(14)6(15,16)8(18,9(19,20)21)22-7(5,17)4(2,12)13/h1-2H3
InChIKeyBMQUMFBSJKZJMN-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.56
Rot. Bonds2

About 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane

2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane (PubChem CID 89254684) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane
PubChem CID89254684
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane
SMILESCC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,11)5(14)6(15,16)8(18,9(19,20)21)22-7(5,17)4(2,12)13/h1-2H3
InChIKeyBMQUMFBSJKZJMN-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane 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 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane?
The IUPAC name of 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane (CID 89254684) is 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane is CC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane?
The InChIKey is BMQUMFBSJKZJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-3(10,11)5(14)6(15,16)8(18,9(19,20)21)22-7(5,17)4(2,12)13/h1-2H3.
What are the key properties of 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane?
2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane has a molecular weight of 358.12 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,1-difluoroethyl)-2,3,4,4,5-pentafluoro-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 89254684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).