1,1,2-trifluoro-1-methoxy-2-methylbutane

C6H11F3O — CID 58789610

IUPAC1,1,2-trifluoro-1-methoxy-2-methylbutane
SMILESCCC(C)(F)C(F)(F)OC
InChIInChI=1S/C6H11F3O/c1-4-5(2,7)6(8,9)10-3/h4H2,1-3H3
InChIKeyQFUXZHARSOQWMX-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.36
Rot. Bonds3

About 1,1,2-trifluoro-1-methoxy-2-methylbutane

1,1,2-trifluoro-1-methoxy-2-methylbutane (PubChem CID 58789610) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-methoxy-2-methylbutane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-methoxy-2-methylbutane
PubChem CID58789610
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1,2-trifluoro-1-methoxy-2-methylbutane
SMILESCCC(C)(F)C(F)(F)OC
InChIInChI=1S/C6H11F3O/c1-4-5(2,7)6(8,9)10-3/h4H2,1-3H3
InChIKeyQFUXZHARSOQWMX-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20802235
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CID 20826506
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CID 21130196
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CID 21360346
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CID 22002892
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CID 53665128
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CID 54079436
CID 54079436

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-methoxy-2-methylbutane?
The IUPAC name of 1,1,2-trifluoro-1-methoxy-2-methylbutane (CID 58789610) is 1,1,2-trifluoro-1-methoxy-2-methylbutane.
What is the SMILES notation for 1,1,2-trifluoro-1-methoxy-2-methylbutane?
The canonical SMILES for 1,1,2-trifluoro-1-methoxy-2-methylbutane is CCC(C)(F)C(F)(F)OC.
What is the InChIKey of 1,1,2-trifluoro-1-methoxy-2-methylbutane?
The InChIKey is QFUXZHARSOQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4-5(2,7)6(8,9)10-3/h4H2,1-3H3.
What are the key properties of 1,1,2-trifluoro-1-methoxy-2-methylbutane?
1,1,2-trifluoro-1-methoxy-2-methylbutane has a molecular weight of 156.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-methoxy-2-methylbutane is sourced from PubChem (CID 58789610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).