1-ethoxy-2-fluoro-3-methylbut-2-ene

C7H13FO — CID 123631798

IUPAC1-ethoxy-2-fluoro-3-methylbut-2-ene
SMILESCCOCC(F)=C(C)C
InChIInChI=1S/C7H13FO/c1-4-9-5-7(8)6(2)3/h4-5H2,1-3H3
InChIKeyKPWLWKLMAVWPBK-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.29
Rot. Bonds3

About 1-ethoxy-2-fluoro-3-methylbut-2-ene

1-ethoxy-2-fluoro-3-methylbut-2-ene (PubChem CID 123631798) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-3-methylbut-2-ene
PubChem CID123631798
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name1-ethoxy-2-fluoro-3-methylbut-2-ene
SMILESCCOCC(F)=C(C)C
InChIInChI=1S/C7H13FO/c1-4-9-5-7(8)6(2)3/h4-5H2,1-3H3
InChIKeyKPWLWKLMAVWPBK-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dimethyl-2,5-dihydrofuran
CID 535197
1-(2-Fluoroethoxy)-3-methylbut-2-ene
CID 57722408
3-(2-Fluoroethoxy)-2-methylprop-1-ene
CID 89887492
(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene
CID 118145002
(E)-3-ethoxy-1-fluoro-2-methylprop-1-ene
CID 162524115
3-Ethoxy-3-fluoro-2-methylprop-1-ene
CID 163422164
(E)-2,3-difluoro-1-(2-methylpropoxy)but-2-ene
CID 165061781
(Z)-3-fluoro-2-methyl-1-(2-methylpropoxy)but-2-ene
CID 165061783
1-(Fluoromethoxy)-3-methylbut-2-ene
CID 166126201
1,1-Difluoro-2-methyl-3-propoxyprop-1-ene
CID 167502299
1-Methoxy-2,3-dimethyl-2-butene
CID 567279
3-(1-Fluoropropoxy)-2-methylprop-1-ene
CID 87224895

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-3-methylbut-2-ene?
The IUPAC name of 1-ethoxy-2-fluoro-3-methylbut-2-ene (CID 123631798) is 1-ethoxy-2-fluoro-3-methylbut-2-ene.
What is the SMILES notation for 1-ethoxy-2-fluoro-3-methylbut-2-ene?
The canonical SMILES for 1-ethoxy-2-fluoro-3-methylbut-2-ene is CCOCC(F)=C(C)C.
What is the InChIKey of 1-ethoxy-2-fluoro-3-methylbut-2-ene?
The InChIKey is KPWLWKLMAVWPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-4-9-5-7(8)6(2)3/h4-5H2,1-3H3.
What are the key properties of 1-ethoxy-2-fluoro-3-methylbut-2-ene?
1-ethoxy-2-fluoro-3-methylbut-2-ene has a molecular weight of 132.18 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-3-methylbut-2-ene is sourced from PubChem (CID 123631798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).