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

C4H3F7O — CID 2774943

IUPAC1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
InChIKeyNOPJRYAFUXTDLX-UHFFFAOYSA-N
MW200.05 g/mol
LogP2.42
Rot. Bonds2

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

1,1,1,2,2,3,3-heptafluoro-3-methoxypropane (PubChem CID 2774943) has the molecular formula C4H3F7O and a molecular weight of 200.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
PubChem CID2774943
Molecular FormulaC4H3F7O
Molecular Weight200.05 g/mol
Exact Mass200.01
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
InChIKeyNOPJRYAFUXTDLX-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane (CID 2774943) is 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane is COC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane?
The InChIKey is NOPJRYAFUXTDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane?
1,1,1,2,2,3,3-heptafluoro-3-methoxypropane has a molecular weight of 200.05 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane is sourced from PubChem (CID 2774943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).