1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane

C7H13F3O — CID 58305910

IUPAC1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane
SMILESCOC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)5(11-4)7(8,9)10/h5H,1-4H3
InChIKeyFHOPUKGRFZBBCN-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.61
Rot. Bonds1

About 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane

1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane (PubChem CID 58305910) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane
PubChem CID58305910
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane
SMILESCOC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)5(11-4)7(8,9)10/h5H,1-4H3
InChIKeyFHOPUKGRFZBBCN-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane (CID 58305910) is 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane is COC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane?
The InChIKey is FHOPUKGRFZBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-6(2,3)5(11-4)7(8,9)10/h5H,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane?
1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane has a molecular weight of 170.17 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methoxy-3,3-dimethylbutane is sourced from PubChem (CID 58305910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).