2,2,3-trifluoro-3-(trifluoromethoxy)butane

C5H6F6O — CID 58219978

IUPAC2,2,3-trifluoro-3-(trifluoromethoxy)butane
SMILESCC(F)(F)C(C)(F)OC(F)(F)F
InChIInChI=1S/C5H6F6O/c1-3(6,7)4(2,8)12-5(9,10)11/h1-2H3
InChIKeyKMPFTGQGKXDSFO-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.86
Rot. Bonds2

About 2,2,3-trifluoro-3-(trifluoromethoxy)butane

2,2,3-trifluoro-3-(trifluoromethoxy)butane (PubChem CID 58219978) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethoxy)butane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(trifluoromethoxy)butane
PubChem CID58219978
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name2,2,3-trifluoro-3-(trifluoromethoxy)butane
SMILESCC(F)(F)C(C)(F)OC(F)(F)F
InChIInChI=1S/C5H6F6O/c1-3(6,7)4(2,8)12-5(9,10)11/h1-2H3
InChIKeyKMPFTGQGKXDSFO-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(trifluoromethoxy)butane?
The IUPAC name of 2,2,3-trifluoro-3-(trifluoromethoxy)butane (CID 58219978) is 2,2,3-trifluoro-3-(trifluoromethoxy)butane.
What is the SMILES notation for 2,2,3-trifluoro-3-(trifluoromethoxy)butane?
The canonical SMILES for 2,2,3-trifluoro-3-(trifluoromethoxy)butane is CC(F)(F)C(C)(F)OC(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(trifluoromethoxy)butane?
The InChIKey is KMPFTGQGKXDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-3(6,7)4(2,8)12-5(9,10)11/h1-2H3.
What are the key properties of 2,2,3-trifluoro-3-(trifluoromethoxy)butane?
2,2,3-trifluoro-3-(trifluoromethoxy)butane has a molecular weight of 196.09 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(trifluoromethoxy)butane is sourced from PubChem (CID 58219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).