3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane

C9H14F6O — CID 88907558

IUPAC3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane
SMILESCCCC(C)(OC(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-4-5-7(2,16-6(10)11)8(3,12)9(13,14)15/h6H,4-5H2,1-3H3
InChIKeyWUUQULQDDTXPOE-UHFFFAOYSA-N
MW252.20 g/mol
LogP4.07
Rot. Bonds5

About 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane

3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane (PubChem CID 88907558) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane
PubChem CID88907558
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane
SMILESCCCC(C)(OC(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-4-5-7(2,16-6(10)11)8(3,12)9(13,14)15/h6H,4-5H2,1-3H3
InChIKeyWUUQULQDDTXPOE-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 54.07
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
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
1,1,1,2,3,4,5,5,5-Nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
CID 19761969
4-Ethyl-2,2,3,5,5-pentafluoro-3-(trifluoromethoxy)hexane
CID 58731925
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 59734874
1,1,1,2,2,3,4,5,5,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879973
1,1,1,2,2,3,4,6,6,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879974
1,1,1,2,2,3,4,5,6,6-Decafluoro-3-methoxy-4-(trifluoromethyl)hexane
CID 88879975
2-[Difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane
CID 89135359
3-(Difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane
CID 89145317
1,1,1,2-Tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane
CID 89196289
1-(1,1-Difluoro-2-methylbutan-2-yl)oxy-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)hexane
CID 89196368

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane?
The IUPAC name of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane (CID 88907558) is 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane.
What is the SMILES notation for 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane?
The canonical SMILES for 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane is CCCC(C)(OC(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane?
The InChIKey is WUUQULQDDTXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-4-5-7(2,16-6(10)11)8(3,12)9(13,14)15/h6H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane?
3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane has a molecular weight of 252.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane is sourced from PubChem (CID 88907558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).