1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane

C7H13F3O — CID 89465591

IUPAC1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane
SMILESCOCC(C)(C)CC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,5-11-3)4-7(8,9)10/h4-5H2,1-3H3
InChIKeyYBENANZKURQRNU-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.61
Rot. Bonds3

About 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane

1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane (PubChem CID 89465591) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane
PubChem CID89465591
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane
SMILESCOCC(C)(C)CC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,5-11-3)4-7(8,9)10/h4-5H2,1-3H3
InChIKeyYBENANZKURQRNU-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-2,3-difluorooxirane
CID 12634313
1,1,1-Trifluoro-4-methoxy-2,2-bis(trifluoromethyl)butane
CID 14091758
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
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
1,2-Difluoro-2-(fluoromethoxymethyl)butane
CID 58587214
1,1,2-Trifluoro-1-methoxy-2-methylbutane
CID 58789610
(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
CID 59127101
3-Methyl-1-(trifluoromethoxy)butane
CID 59366529
1-Fluoro-1-methoxy-3,3-dimethylbutane
CID 59409485
(3S)-2,2-dimethyl-3-(trifluoromethoxy)butane
CID 60139779

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane (CID 89465591) is 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane is COCC(C)(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane?
The InChIKey is YBENANZKURQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-6(2,5-11-3)4-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane?
1,1,1-trifluoro-4-methoxy-3,3-dimethylbutane has a molecular weight of 170.17 g/mol, XLogP of 2.61, 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-3,3-dimethylbutane is sourced from PubChem (CID 89465591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).