1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane

C4HF9O — CID 87760261

IUPAC1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6)2(7,3(8,9)10)14-4(11,12)13/h1H
InChIKeyMOHSCEGUOOKAOK-UHFFFAOYSA-N
MW236.03 g/mol
LogP3.02
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane

1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane (PubChem CID 87760261) has the molecular formula C4HF9O and a molecular weight of 236.03 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane
PubChem CID87760261
Molecular FormulaC4HF9O
Molecular Weight236.03 g/mol
Exact Mass235.99
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O/c5-1(6)2(7,3(8,9)10)14-4(11,12)13/h1H
InChIKeyMOHSCEGUOOKAOK-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.03
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane (CID 87760261) is 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane is FC(F)C(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The InChIKey is MOHSCEGUOOKAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O/c5-1(6)2(7,3(8,9)10)14-4(11,12)13/h1H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane?
1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane has a molecular weight of 236.03 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(trifluoromethoxy)propane is sourced from PubChem (CID 87760261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).