1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane

C7H10F6O — CID 89465783

IUPAC1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane
SMILESCOCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(3-4-14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyLOUKLSFLBUVDDA-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.15
Rot. Bonds3

About 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane

1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane (PubChem CID 89465783) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane
PubChem CID89465783
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane
SMILESCOCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(3-4-14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyLOUKLSFLBUVDDA-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-4-methoxy-2,2-bis(trifluoromethyl)butane
CID 14091758
1,1,1,2,3,3-Hexafluoro-4-methoxy-2-(trifluoromethyl)butane
CID 19063468
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
2,2-Difluoro-1-methoxy-3,3-dimethylbutane
CID 58044575
3,3-Dimethyl-1-(2,2,2-trifluoroethoxy)butane
CID 58279929
1,1,1-Trifluoro-2-methoxy-3,3-dimethylbutane
CID 58305910
1,1,1-Trifluoro-2-(fluoromethyl)-4-methoxybutane
CID 58870490
2-[Difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
1,1,2-Trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 59126166
1-Fluoro-1-methoxy-3,3-dimethylbutane
CID 59409485
(3S)-2,2-dimethyl-3-(trifluoromethoxy)butane
CID 60139779
1,1,1-Trifluoro-4-[4,4,4-trifluoro-3,3-bis(trifluoromethyl)butoxy]-2,2-bis(trifluoromethyl)butane
CID 87791067

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane (CID 89465783) is 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane is COCCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane?
The InChIKey is LOUKLSFLBUVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(3-4-14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane?
1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane has a molecular weight of 224.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-2-methyl-2-(trifluoromethyl)butane is sourced from PubChem (CID 89465783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).