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

C5H4F8O — CID 19063489

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane
SMILESFCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2-14-1-3(7,4(8,9)10)5(11,12)13/h1-2H2
InChIKeyVZFVWRQZXHQIAS-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds3

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

1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane (PubChem CID 19063489) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane
PubChem CID19063489
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane
SMILESFCOCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2-14-1-3(7,4(8,9)10)5(11,12)13/h1-2H2
InChIKeyVZFVWRQZXHQIAS-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Flurothyl
CID 9528
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Ethyl perfluoroisobutyl ether
CID 205999
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
Bis(2,2,3,3-tetrafluoropropyl)ether
CID 12824699
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane (CID 19063489) is 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane is FCOCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane?
The InChIKey is VZFVWRQZXHQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c6-2-14-1-3(7,4(8,9)10)5(11,12)13/h1-2H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane?
1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(fluoromethoxymethyl)propane is sourced from PubChem (CID 19063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).