1,1,1,3-tetrafluoro-3-methoxypropane

C4H6F4O — CID 141176664

IUPAC1,1,1,3-tetrafluoro-3-methoxypropane
SMILESCOC(F)CC(F)(F)F
InChIInChI=1S/C4H6F4O/c1-9-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKeyVSFVWRJQAGRJIM-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.88
Rot. Bonds2

About 1,1,1,3-tetrafluoro-3-methoxypropane

1,1,1,3-tetrafluoro-3-methoxypropane (PubChem CID 141176664) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-methoxypropane
PubChem CID141176664
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name1,1,1,3-tetrafluoro-3-methoxypropane
SMILESCOC(F)CC(F)(F)F
InChIInChI=1S/C4H6F4O/c1-9-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKeyVSFVWRJQAGRJIM-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

Analyze 1,1,1,3-tetrafluoro-3-methoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-methoxypropane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-methoxypropane (CID 141176664) is 1,1,1,3-tetrafluoro-3-methoxypropane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-methoxypropane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-methoxypropane is COC(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-methoxypropane?
The InChIKey is VSFVWRJQAGRJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-9-3(5)2-4(6,7)8/h3H,2H2,1H3.
What are the key properties of 1,1,1,3-tetrafluoro-3-methoxypropane?
1,1,1,3-tetrafluoro-3-methoxypropane 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 1,1,1,3-tetrafluoro-3-methoxypropane is sourced from PubChem (CID 141176664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).