2,5-bis(trifluoromethyl)oxolane

C6H6F6O — CID 22022757

IUPAC2,5-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H6F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h3-4H,1-2H2
InChIKeyMLBCHSHUQPJBDH-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.66
Rot. Bonds

About 2,5-bis(trifluoromethyl)oxolane

2,5-bis(trifluoromethyl)oxolane (PubChem CID 22022757) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)oxolane
PubChem CID22022757
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,5-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H6F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h3-4H,1-2H2
InChIKeyMLBCHSHUQPJBDH-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)oxolane?
The IUPAC name of 2,5-bis(trifluoromethyl)oxolane (CID 22022757) is 2,5-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2,5-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2,5-bis(trifluoromethyl)oxolane is FC(F)(F)C1CCC(C(F)(F)F)O1.
What is the InChIKey of 2,5-bis(trifluoromethyl)oxolane?
The InChIKey is MLBCHSHUQPJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h3-4H,1-2H2.
What are the key properties of 2,5-bis(trifluoromethyl)oxolane?
2,5-bis(trifluoromethyl)oxolane has a molecular weight of 208.10 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 22022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).