(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene

C7H12F2O — CID 15507746

IUPAC(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene
SMILESCCOCC(C)/C(F)=C/F
InChIInChI=1S/C7H12F2O/c1-3-10-5-6(2)7(9)4-8/h4,6H,3,5H2,1-2H3/b7-4-
InChIKeyLYGTVZCJCYVRSD-DAXSKMNVSA-N
MW150.17 g/mol
LogP2.44
Rot. Bonds4

About (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene

(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene (PubChem CID 15507746) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene
PubChem CID15507746
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene
SMILESCCOCC(C)/C(F)=C/F
InChIInChI=1S/C7H12F2O/c1-3-10-5-6(2)7(9)4-8/h4,6H,3,5H2,1-2H3/b7-4-
InChIKeyLYGTVZCJCYVRSD-DAXSKMNVSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene?
The IUPAC name of (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene (CID 15507746) is (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene.
What is the SMILES notation for (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene?
The canonical SMILES for (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene is CCOCC(C)/C(F)=C/F.
What is the InChIKey of (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene?
The InChIKey is LYGTVZCJCYVRSD-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12F2O/c1-3-10-5-6(2)7(9)4-8/h4,6H,3,5H2,1-2H3/b7-4-.
What are the key properties of (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene?
(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene has a molecular weight of 150.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene is sourced from PubChem (CID 15507746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).