1,1,1-trifluoro-3-methoxy-2-methylpropane

C5H9F3O — CID 20746379

IUPAC1,1,1-trifluoro-3-methoxy-2-methylpropane
SMILESCOCC(C)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-4(3-9-2)5(6,7)8/h4H,3H2,1-2H3
InChIKeyKVWZVCAZTSEOME-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.83
Rot. Bonds2

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

1,1,1-trifluoro-3-methoxy-2-methylpropane (PubChem CID 20746379) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxy-2-methylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxy-2-methylpropane
PubChem CID20746379
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1,1,1-trifluoro-3-methoxy-2-methylpropane
SMILESCOCC(C)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-4(3-9-2)5(6,7)8/h4H,3H2,1-2H3
InChIKeyKVWZVCAZTSEOME-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.83
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-3-methoxy-2-methylpropane?
The IUPAC name of 1,1,1-trifluoro-3-methoxy-2-methylpropane (CID 20746379) is 1,1,1-trifluoro-3-methoxy-2-methylpropane.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxy-2-methylpropane?
The canonical SMILES for 1,1,1-trifluoro-3-methoxy-2-methylpropane is COCC(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methoxy-2-methylpropane?
The InChIKey is KVWZVCAZTSEOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-4(3-9-2)5(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methoxy-2-methylpropane?
1,1,1-trifluoro-3-methoxy-2-methylpropane has a molecular weight of 142.12 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxy-2-methylpropane is sourced from PubChem (CID 20746379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).