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

C9H8F10O — CID 20738948

IUPAC4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
SMILESCC(F)(F)C1OC(F)(C(F)(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C9H8F10O/c1-5(10,11)3-4(6(2,12)13)20-8(16,7(3,14)15)9(17,18)19/h3-4H,1-2H3
InChIKeyQOSNYMWOFHKBBP-UHFFFAOYSA-N
MW322.14 g/mol
LogP4.18
Rot. Bonds2

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

4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane (PubChem CID 20738948) has the molecular formula C9H8F10O and a molecular weight of 322.14 g/mol. Its IUPAC name is 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
PubChem CID20738948
Molecular FormulaC9H8F10O
Molecular Weight322.14 g/mol
Exact Mass322.04
IUPAC Name4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
SMILESCC(F)(F)C1OC(F)(C(F)(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C9H8F10O/c1-5(10,11)3-4(6(2,12)13)20-8(16,7(3,14)15)9(17,18)19/h3-4H,1-2H3
InChIKeyQOSNYMWOFHKBBP-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane?
The IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane (CID 20738948) is 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane?
The canonical SMILES for 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane is CC(F)(F)C1OC(F)(C(F)(F)F)C(F)(F)C1C(C)(F)F.
What is the InChIKey of 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane?
The InChIKey is QOSNYMWOFHKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O/c1-5(10,11)3-4(6(2,12)13)20-8(16,7(3,14)15)9(17,18)19/h3-4H,1-2H3.
What are the key properties of 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane?
4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane has a molecular weight of 322.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 20738948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).