2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane

C9H10F10O — CID 118636586

IUPAC2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane
SMILESCC(F)(F)C(C)(F)CC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C9H10F10O/c1-5(11,6(2,12)13)3-7(14,8(15,16)17)9(18,19)20-4-10/h3-4H2,1-2H3
InChIKeyCZVUQXLRSHFBFG-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.57
Rot. Bonds6

About 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane

2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane (PubChem CID 118636586) has the molecular formula C9H10F10O and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane.

Molecular Properties

Compound Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane
PubChem CID118636586
Molecular FormulaC9H10F10O
Molecular Weight324.16 g/mol
Exact Mass324.06
IUPAC Name2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane
SMILESCC(F)(F)C(C)(F)CC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C9H10F10O/c1-5(11,6(2,12)13)3-7(14,8(15,16)17)9(18,19)20-4-10/h3-4H2,1-2H3
InChIKeyCZVUQXLRSHFBFG-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
CID 19761923
3-Ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
CID 19761953
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
CID 54203988
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
1,1,2,2,3-Pentafluoro-3-(methoxymethyl)cyclohexane
CID 58107108
1,1,2,4,4,5-Hexafluoro-1-methoxy-2-methylpentane
CID 58419167
Fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426031
Fluoromethane;1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426034
Ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426037
1,1-Difluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-3-(trifluoromethyl)hexane
CID 58918823
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane?
The IUPAC name of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane (CID 118636586) is 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane.
What is the SMILES notation for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane?
The canonical SMILES for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane is CC(F)(F)C(C)(F)CC(F)(C(F)(F)F)C(F)(F)OCF.
What is the InChIKey of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane?
The InChIKey is CZVUQXLRSHFBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O/c1-5(11,6(2,12)13)3-7(14,8(15,16)17)9(18,19)20-4-10/h3-4H2,1-2H3.
What are the key properties of 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane?
2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane has a molecular weight of 324.16 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(fluoromethoxy)methyl]-1,1,1,2,4,5,5-heptafluoro-4-methylhexane is sourced from PubChem (CID 118636586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).