2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane

C9H13F5O — CID 89441115

IUPAC2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane
SMILESCCC(C)COCC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H13F5O/c1-3-6(2)4-15-5-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3
InChIKeyJDZSIUVDHZOIEV-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.76
Rot. Bonds6

About 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane

2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane (PubChem CID 89441115) has the molecular formula C9H13F5O and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane
PubChem CID89441115
Molecular FormulaC9H13F5O
Molecular Weight232.19 g/mol
Exact Mass232.09
IUPAC Name2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane
SMILESCCC(C)COCC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H13F5O/c1-3-6(2)4-15-5-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3
InChIKeyJDZSIUVDHZOIEV-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
CID 20793149
2-Methyl-3-(2,2,3-trifluorobut-3-enoxy)butane
CID 57838216
3,4,4,4-Tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene
CID 58864070
3,4,4,4-Tetrafluoro-3-(2-methylbutoxymethyl)-2-(trifluoromethyl)but-1-ene
CID 60067208
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333
4-Butoxy-1,1,2-trifluorobut-1-ene
CID 2736439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane?
The IUPAC name of 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane (CID 89441115) is 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane.
What is the SMILES notation for 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane?
The canonical SMILES for 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane is CCC(C)COCC(F)(F)C(F)=C(F)F.
What is the InChIKey of 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane?
The InChIKey is JDZSIUVDHZOIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O/c1-3-6(2)4-15-5-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane?
2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane has a molecular weight of 232.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane is sourced from PubChem (CID 89441115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).