1,1,1,2,3,3,3-heptafluoro-2-methoxypropane

C4H3F7O — CID 2774925

IUPAC1,1,1,2,3,3,3-heptafluoro-2-methoxypropane
SMILESCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3
InChIKeyHRXXERHTOVVTQF-UHFFFAOYSA-N
MW200.05 g/mol
LogP2.42
Rot. Bonds1

About 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane

1,1,1,2,3,3,3-heptafluoro-2-methoxypropane (PubChem CID 2774925) has the molecular formula C4H3F7O and a molecular weight of 200.05 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-methoxypropane
PubChem CID2774925
Molecular FormulaC4H3F7O
Molecular Weight200.05 g/mol
Exact Mass200.01
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-methoxypropane
SMILESCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3
InChIKeyHRXXERHTOVVTQF-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3,3-heptafluoro-2-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 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane (CID 2774925) is 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane is COC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane?
The InChIKey is HRXXERHTOVVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-methoxypropane?
1,1,1,2,3,3,3-heptafluoro-2-methoxypropane has a molecular weight of 200.05 g/mol, XLogP of 2.42, 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-methoxypropane is sourced from PubChem (CID 2774925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).