2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane

C8H6F14O — CID 54483821

IUPAC2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
SMILESCF.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O.CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;1-2/h2H,1H2;1H3
InChIKeyXQWSDUPYFOMRBS-UHFFFAOYSA-N
MW384.11 g/mol
LogP4.91
Rot. Bonds5

About 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane

2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane (PubChem CID 54483821) has the molecular formula C8H6F14O and a molecular weight of 384.11 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
PubChem CID54483821
Molecular FormulaC8H6F14O
Molecular Weight384.11 g/mol
Exact Mass384.02
IUPAC Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
SMILESCF.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O.CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;1-2/h2H,1H2;1H3
InChIKeyXQWSDUPYFOMRBS-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.11
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane?
The IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane (CID 54483821) is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane is CF.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane?
The InChIKey is XQWSDUPYFOMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O.CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;1-2/h2H,1H2;1H3.
What are the key properties of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane?
2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane has a molecular weight of 384.11 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane is sourced from PubChem (CID 54483821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).