2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

C5H2F10O — CID 18929310

IUPAC2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESFCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2
InChIKeySAAJXMOREVNDGR-UHFFFAOYSA-N
MW268.05 g/mol
LogP3.36
Rot. Bonds3

About 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 18929310) has the molecular formula C5H2F10O and a molecular weight of 268.05 g/mol. Its IUPAC name is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID18929310
Molecular FormulaC5H2F10O
Molecular Weight268.05 g/mol
Exact Mass267.99
IUPAC Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESFCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2
InChIKeySAAJXMOREVNDGR-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (CID 18929310) is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is FCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is SAAJXMOREVNDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2.
What are the key properties of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 268.05 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 18929310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).