1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane

C5H5F7O2 — CID 20605370

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane
SMILESCOCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O2/c1-13-2-14-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyCBTJBDXWVPRGEY-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.40
Rot. Bonds3

About 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane

1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane (PubChem CID 20605370) has the molecular formula C5H5F7O2 and a molecular weight of 230.08 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane
PubChem CID20605370
Molecular FormulaC5H5F7O2
Molecular Weight230.08 g/mol
Exact Mass230.02
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane
SMILESCOCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O2/c1-13-2-14-3(6,4(7,8)9)5(10,11)12/h2H2,1H3
InChIKeyCBTJBDXWVPRGEY-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane (CID 20605370) is 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane is COCOC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane?
The InChIKey is CBTJBDXWVPRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O2/c1-13-2-14-3(6,4(7,8)9)5(10,11)12/h2H2,1H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane?
1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane has a molecular weight of 230.08 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(methoxymethoxy)propane is sourced from PubChem (CID 20605370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).