(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene

C8H14F2O — CID 165061781

IUPAC(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene
SMILESC/C(F)=C(\F)COCC(C)C
InChIInChI=1S/C8H14F2O/c1-6(2)4-11-5-8(10)7(3)9/h6H,4-5H2,1-3H3/b8-7+
InChIKeyRBOCDUVPBLBQDA-BQYQJAHWSA-N
MW164.19 g/mol
LogP2.83
Rot. Bonds4

About (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene

(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene (PubChem CID 165061781) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene.

Molecular Properties

Compound Name(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene
PubChem CID165061781
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene
SMILESC/C(F)=C(\F)COCC(C)C
InChIInChI=1S/C8H14F2O/c1-6(2)4-11-5-8(10)7(3)9/h6H,4-5H2,1-3H3/b8-7+
InChIKeyRBOCDUVPBLBQDA-BQYQJAHWSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene?
The IUPAC name of (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene (CID 165061781) is (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene.
What is the SMILES notation for (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene?
The canonical SMILES for (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene is C/C(F)=C(\F)COCC(C)C.
What is the InChIKey of (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene?
The InChIKey is RBOCDUVPBLBQDA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(2)4-11-5-8(10)7(3)9/h6H,4-5H2,1-3H3/b8-7+.
What are the key properties of (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene?
(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene has a molecular weight of 164.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene is sourced from PubChem (CID 165061781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).