2-(trifluoromethoxy)propane

C4H7F3O — CID 21068678

IUPAC2-(trifluoromethoxy)propane
SMILESCC(C)OC(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(2)8-4(5,6)7/h3H,1-2H3
InChIKeyCQDICPOQVVMMKR-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.93
Rot. Bonds1

About 2-(trifluoromethoxy)propane

2-(trifluoromethoxy)propane (PubChem CID 21068678) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name2-(trifluoromethoxy)propane
PubChem CID21068678
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name2-(trifluoromethoxy)propane
SMILESCC(C)OC(F)(F)F
InChIInChI=1S/C4H7F3O/c1-3(2)8-4(5,6)7/h3H,1-2H3
InChIKeyCQDICPOQVVMMKR-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)propane?
The IUPAC name of 2-(trifluoromethoxy)propane (CID 21068678) is 2-(trifluoromethoxy)propane.
What is the SMILES notation for 2-(trifluoromethoxy)propane?
The canonical SMILES for 2-(trifluoromethoxy)propane is CC(C)OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)propane?
The InChIKey is CQDICPOQVVMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-3(2)8-4(5,6)7/h3H,1-2H3.
What are the key properties of 2-(trifluoromethoxy)propane?
2-(trifluoromethoxy)propane has a molecular weight of 128.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)propane is sourced from PubChem (CID 21068678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).