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

C4F10O — CID 10220655

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F10O/c5-1(2(6,7)8,3(9,10)11)15-4(12,13)14
InChIKeyQZQHVISBKDSWTB-UHFFFAOYSA-N
MW254.02 g/mol
LogP3.31
Rot. Bonds1

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

1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane (PubChem CID 10220655) has the molecular formula C4F10O and a molecular weight of 254.02 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane
PubChem CID10220655
Molecular FormulaC4F10O
Molecular Weight254.02 g/mol
Exact Mass253.98
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F10O/c5-1(2(6,7)8,3(9,10)11)15-4(12,13)14
InChIKeyQZQHVISBKDSWTB-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane (CID 10220655) is 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane is FC(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane?
The InChIKey is QZQHVISBKDSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O/c5-1(2(6,7)8,3(9,10)11)15-4(12,13)14.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane?
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane has a molecular weight of 254.02 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethoxy)propane is sourced from PubChem (CID 10220655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).