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

C5H3F9O — CID 44582441

IUPAC2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
SMILESFCOC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-1-15-5(13,14)2(3(7,8)9)4(10,11)12/h2H,1H2
InChIKeyKVFJRZVYFXDOCI-UHFFFAOYSA-N
MW250.06 g/mol
LogP3.26
Rot. Bonds3

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

2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane (PubChem CID 44582441) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
PubChem CID44582441
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
SMILESFCOC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F9O/c6-1-15-5(13,14)2(3(7,8)9)4(10,11)12/h2H,1H2
InChIKeyKVFJRZVYFXDOCI-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.26
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]-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane (CID 44582441) is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane is FCOC(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is KVFJRZVYFXDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c6-1-15-5(13,14)2(3(7,8)9)4(10,11)12/h2H,1H2.
What are the key properties of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane?
2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 250.06 g/mol, XLogP of 3.26, 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]-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 44582441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).