2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane

C6H5F9O — CID 89014805

IUPAC2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane
SMILESCOC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-6(14,15)3(7,5(11,12)13)2-4(8,9)10/h2H2,1H3
InChIKeyWKKCWTIWLPDLJA-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.45
Rot. Bonds3

About 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane

2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane (PubChem CID 89014805) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane
PubChem CID89014805
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane
SMILESCOC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-16-6(14,15)3(7,5(11,12)13)2-4(8,9)10/h2H2,1H3
InChIKeyWKKCWTIWLPDLJA-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
CID 45459
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
1,1,2,2,3,3-Hexafluoro-1-methoxypropane
CID 22178541
Methyl 1,1,2,3,3,3-pentafluoropropyl ether
CID 89951034
1,1,1,2,2,3,3,4-Octafluoro-4-methoxybutane
CID 14272782
1,1,2,2,3,3,4-Heptafluoro-4-methoxybutane
CID 14272784
1,1,2,2,4,4,4-Heptafluoro-1-methoxy-3-(trifluoromethyl)butane
CID 21732774
1,1,1,2,3,3-Hexafluoro-4-methoxybutane
CID 93885
1,1,3,3,3-Pentafluoropropyl methyl ether
CID 2782397
1,1,1-Trifluoro-4-methoxy-2,2-bis(trifluoromethyl)butane
CID 14091758
1,1,2,2,3,3,4,4-Octafluoro-1-methoxybutane
CID 17860082

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane?
The IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane (CID 89014805) is 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane.
What is the SMILES notation for 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane?
The canonical SMILES for 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane is COC(F)(F)C(F)(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane?
The InChIKey is WKKCWTIWLPDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-16-6(14,15)3(7,5(11,12)13)2-4(8,9)10/h2H2,1H3.
What are the key properties of 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane?
2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane has a molecular weight of 264.09 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methyl]-1,1,1,2,4,4,4-heptafluorobutane is sourced from PubChem (CID 89014805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).