1,1,1-trifluoro-2-methoxy-3-methylbutane

C6H11F3O — CID 59790373

IUPAC1,1,1-trifluoro-2-methoxy-3-methylbutane
SMILESCOC(C(C)C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(10-3)6(7,8)9/h4-5H,1-3H3
InChIKeyQRFKUEIEVCIRNF-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.22
Rot. Bonds2

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

1,1,1-trifluoro-2-methoxy-3-methylbutane (PubChem CID 59790373) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-3-methylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-3-methylbutane
PubChem CID59790373
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,1,1-trifluoro-2-methoxy-3-methylbutane
SMILESCOC(C(C)C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(10-3)6(7,8)9/h4-5H,1-3H3
InChIKeyQRFKUEIEVCIRNF-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.22
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-methylbutane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-3-methylbutane (CID 59790373) is 1,1,1-trifluoro-2-methoxy-3-methylbutane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-3-methylbutane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-3-methylbutane is COC(C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-3-methylbutane?
The InChIKey is QRFKUEIEVCIRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)5(10-3)6(7,8)9/h4-5H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-3-methylbutane?
1,1,1-trifluoro-2-methoxy-3-methylbutane has a molecular weight of 156.15 g/mol, XLogP of 2.22, 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-2-methoxy-3-methylbutane is sourced from PubChem (CID 59790373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).