2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane

C9H15F3O — CID 20793149

IUPAC2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
SMILESC=C(F)C(F)(F)COCC(C)CC
InChIInChI=1S/C9H15F3O/c1-4-7(2)5-13-6-9(11,12)8(3)10/h7H,3-6H2,1-2H3
InChIKeyZVBNCLFXAHQOSA-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.17
Rot. Bonds6

About 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane

2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane (PubChem CID 20793149) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane.

Molecular Properties

Compound Name2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
PubChem CID20793149
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
SMILESC=C(F)C(F)(F)COCC(C)CC
InChIInChI=1S/C9H15F3O/c1-4-7(2)5-13-6-9(11,12)8(3)10/h7H,3-6H2,1-2H3
InChIKeyZVBNCLFXAHQOSA-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane?
The IUPAC name of 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane (CID 20793149) is 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane.
What is the SMILES notation for 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane?
The canonical SMILES for 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane is C=C(F)C(F)(F)COCC(C)CC.
What is the InChIKey of 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane?
The InChIKey is ZVBNCLFXAHQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-4-7(2)5-13-6-9(11,12)8(3)10/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane?
2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane has a molecular weight of 196.21 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3-trifluorobut-3-enoxy)butane is sourced from PubChem (CID 20793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).