1,1,1-trifluoro-2-(fluoromethoxy)propane

C4H6F4O — CID 22897880

IUPAC1,1,1-trifluoro-2-(fluoromethoxy)propane
SMILESCC(OCF)C(F)(F)F
InChIInChI=1S/C4H6F4O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyWTGYTKDFUODXDZ-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.88
Rot. Bonds2

About 1,1,1-trifluoro-2-(fluoromethoxy)propane

1,1,1-trifluoro-2-(fluoromethoxy)propane (PubChem CID 22897880) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(fluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(fluoromethoxy)propane
PubChem CID22897880
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name1,1,1-trifluoro-2-(fluoromethoxy)propane
SMILESCC(OCF)C(F)(F)F
InChIInChI=1S/C4H6F4O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyWTGYTKDFUODXDZ-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(fluoromethoxy)propane?
The IUPAC name of 1,1,1-trifluoro-2-(fluoromethoxy)propane (CID 22897880) is 1,1,1-trifluoro-2-(fluoromethoxy)propane.
What is the SMILES notation for 1,1,1-trifluoro-2-(fluoromethoxy)propane?
The canonical SMILES for 1,1,1-trifluoro-2-(fluoromethoxy)propane is CC(OCF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(fluoromethoxy)propane?
The InChIKey is WTGYTKDFUODXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-3(9-2-5)4(6,7)8/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(fluoromethoxy)propane?
1,1,1-trifluoro-2-(fluoromethoxy)propane has a molecular weight of 146.08 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(fluoromethoxy)propane is sourced from PubChem (CID 22897880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).