1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

C4H3F7O — CID 5206

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IUPAC1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
SMILESFCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyDFEYYRMXOJXZRJ-UHFFFAOYSA-N
MW200.05 g/mol
LogP2.42
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane (PubChem CID 5206) has the molecular formula C4H3F7O and a molecular weight of 200.05 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
PubChem CID5206
Molecular FormulaC4H3F7O
Molecular Weight200.05 g/mol
Exact Mass200.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
SMILESFCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyDFEYYRMXOJXZRJ-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

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Related Compounds

Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
Hexafluoroisopropyl methyl ether
CID 25749
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
2-(Difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
Difluoromethyl 2,2,3,3,3-pentafluoropropyl ether
CID 92551
CID 205998
CID 205998
2-(Pentafluoroethyl)oxirane
CID 23089516
2a(Difluoromethoxy)a1,1,1,2,3,3ahexafluoropropane
CID 44582440
1-(Difluoromethoxy)-1,2,2,3,3-pentafluoropropane
CID 37027
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 2775038
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane (CID 5206) is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane is FCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The InChIKey is DFEYYRMXOJXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane 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 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane is sourced from PubChem (CID 5206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).