1,1-dichloro-3-ethoxy-2-fluorobut-1-ene

C6H9Cl2FO — CID 23261804

IUPAC1,1-dichloro-3-ethoxy-2-fluorobut-1-ene
SMILESCCOC(C)C(F)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2FO/c1-3-10-4(2)5(9)6(7)8/h4H,3H2,1-2H3
InChIKeyAIFNWRIRVNDKJV-UHFFFAOYSA-N
MW187.04 g/mol
LogP3.03
Rot. Bonds3

About 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene

1,1-dichloro-3-ethoxy-2-fluorobut-1-ene (PubChem CID 23261804) has the molecular formula C6H9Cl2FO and a molecular weight of 187.04 g/mol. Its IUPAC name is 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene.

Molecular Properties

Compound Name1,1-dichloro-3-ethoxy-2-fluorobut-1-ene
PubChem CID23261804
Molecular FormulaC6H9Cl2FO
Molecular Weight187.04 g/mol
Exact Mass186.00
IUPAC Name1,1-dichloro-3-ethoxy-2-fluorobut-1-ene
SMILESCCOC(C)C(F)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2FO/c1-3-10-4(2)5(9)6(7)8/h4H,3H2,1-2H3
InChIKeyAIFNWRIRVNDKJV-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,2-difluorobut-1-ene
CID 74037990
2-ethoxypropanoic acid;methane
CID 160636954
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
amino 2-ethoxypropanoate
CID 87914402
CID 175212748
CID 175212748
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
1,1,2,3-tetraethoxybut-1-ene
CID 163217034
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
CID 21266963
CID 21266963
2-ethoxy-N-methyl-N-propylpropanamide
CID 145156816

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene?
The IUPAC name of 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene (CID 23261804) is 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene.
What is the SMILES notation for 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene?
The canonical SMILES for 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene is CCOC(C)C(F)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene?
The InChIKey is AIFNWRIRVNDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2FO/c1-3-10-4(2)5(9)6(7)8/h4H,3H2,1-2H3.
What are the key properties of 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene?
1,1-dichloro-3-ethoxy-2-fluorobut-1-ene has a molecular weight of 187.04 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-ethoxy-2-fluorobut-1-ene is sourced from PubChem (CID 23261804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).