1,1,3-trifluoro-2-methoxypropane

C4H7F3O — CID 56980815

IUPAC1,1,3-trifluoro-2-methoxypropane
SMILESCOC(CF)C(F)F
InChIInChI=1S/C4H7F3O/c1-8-3(2-5)4(6)7/h3-4H,2H2,1H3
InChIKeyZKUZBGWIJSYVKI-UHFFFAOYSA-N
MW128.09 g/mol
LogP1.24
Rot. Bonds3

About 1,1,3-trifluoro-2-methoxypropane

1,1,3-trifluoro-2-methoxypropane (PubChem CID 56980815) has the molecular formula C4H7F3O and a molecular weight of 128.09 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-methoxypropane.

Molecular Properties

Compound Name1,1,3-trifluoro-2-methoxypropane
PubChem CID56980815
Molecular FormulaC4H7F3O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name1,1,3-trifluoro-2-methoxypropane
SMILESCOC(CF)C(F)F
InChIInChI=1S/C4H7F3O/c1-8-3(2-5)4(6)7/h3-4H,2H2,1H3
InChIKeyZKUZBGWIJSYVKI-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-2-methoxypropane?
The IUPAC name of 1,1,3-trifluoro-2-methoxypropane (CID 56980815) is 1,1,3-trifluoro-2-methoxypropane.
What is the SMILES notation for 1,1,3-trifluoro-2-methoxypropane?
The canonical SMILES for 1,1,3-trifluoro-2-methoxypropane is COC(CF)C(F)F.
What is the InChIKey of 1,1,3-trifluoro-2-methoxypropane?
The InChIKey is ZKUZBGWIJSYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O/c1-8-3(2-5)4(6)7/h3-4H,2H2,1H3.
What are the key properties of 1,1,3-trifluoro-2-methoxypropane?
1,1,3-trifluoro-2-methoxypropane has a molecular weight of 128.09 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-2-methoxypropane is sourced from PubChem (CID 56980815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).