3-ethoxy-1,2-difluorobut-1-ene

C6H10F2O — CID 74037990

IUPAC3-ethoxy-1,2-difluorobut-1-ene
SMILESCCOC(C)C(F)=CF
InChIInChI=1S/C6H10F2O/c1-3-9-5(2)6(8)4-7/h4-5H,3H2,1-2H3
InChIKeyCWOZMYVZWBLOSS-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.19
Rot. Bonds3

About 3-ethoxy-1,2-difluorobut-1-ene

3-ethoxy-1,2-difluorobut-1-ene (PubChem CID 74037990) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-ethoxy-1,2-difluorobut-1-ene.

Molecular Properties

Compound Name3-ethoxy-1,2-difluorobut-1-ene
PubChem CID74037990
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-ethoxy-1,2-difluorobut-1-ene
SMILESCCOC(C)C(F)=CF
InChIInChI=1S/C6H10F2O/c1-3-9-5(2)6(8)4-7/h4-5H,3H2,1-2H3
InChIKeyCWOZMYVZWBLOSS-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dichloro-3-ethoxy-2-fluorobut-1-ene
CID 23261804
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
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
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
CID 21266963
CID 21266963
1,1-diethoxyethane
CID 7765

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-difluorobut-1-ene?
The IUPAC name of 3-ethoxy-1,2-difluorobut-1-ene (CID 74037990) is 3-ethoxy-1,2-difluorobut-1-ene.
What is the SMILES notation for 3-ethoxy-1,2-difluorobut-1-ene?
The canonical SMILES for 3-ethoxy-1,2-difluorobut-1-ene is CCOC(C)C(F)=CF.
What is the InChIKey of 3-ethoxy-1,2-difluorobut-1-ene?
The InChIKey is CWOZMYVZWBLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-3-9-5(2)6(8)4-7/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1,2-difluorobut-1-ene?
3-ethoxy-1,2-difluorobut-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-difluorobut-1-ene is sourced from PubChem (CID 74037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).