3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane

C8H11F7O — CID 89145317

IUPAC3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane
SMILESCCC(C)(OC(F)F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C8H11F7O/c1-3-6(2,16-5(10)11)7(12,4-9)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyZAHDEHAIQMIRPS-UHFFFAOYSA-N
MW256.16 g/mol
LogP3.63
Rot. Bonds5

About 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane

3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane (PubChem CID 89145317) has the molecular formula C8H11F7O and a molecular weight of 256.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane
PubChem CID89145317
Molecular FormulaC8H11F7O
Molecular Weight256.16 g/mol
Exact Mass256.07
IUPAC Name3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane
SMILESCCC(C)(OC(F)F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C8H11F7O/c1-3-6(2,16-5(10)11)7(12,4-9)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyZAHDEHAIQMIRPS-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,3,4,5,5,5-Nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
CID 19761969
1,1,1,2,2,4,4,5,5,5-Decafluoro-3-methoxy-3-methylpentane
CID 57831803
3-Ethoxy-1,1,1,2,2-pentafluoro-3-methylpentane
CID 59502999
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 59734874
1,1,1,2,3-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 60055098
3-(Difluoromethoxy)-1,1,1,2-tetrafluoro-2,3-dimethylhexane
CID 88907558
3-(Difluoromethoxy)-3-(difluoromethyl)pentane
CID 89051331
3-Methoxy-2-methyl-3-(trifluoromethyl)pentane
CID 89341136
3-Methoxy-3-(trifluoromethyl)pentane
CID 89347830
1,1,1,2-Tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane
CID 89356141
1,1,1,2-Tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-2,3-dimethylhexane
CID 89703350
3-(1,1-Difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylpentane
CID 89887387

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane?
The IUPAC name of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane (CID 89145317) is 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane.
What is the SMILES notation for 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane?
The canonical SMILES for 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane is CCC(C)(OC(F)F)C(F)(CF)C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane?
The InChIKey is ZAHDEHAIQMIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7O/c1-3-6(2,16-5(10)11)7(12,4-9)8(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane?
3-(difluoromethoxy)-1,1,1,2-tetrafluoro-2-(fluoromethyl)-3-methylpentane has a molecular weight of 256.16 g/mol, XLogP of 3.63, 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-(fluoromethyl)-3-methylpentane is sourced from PubChem (CID 89145317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).