3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene

C8H12F2O — CID 87085860

IUPAC3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)F)C(C)F
InChIInChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4H2,1-2H3
InChIKeyDGMTWSBDWCNYJD-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.75
Rot. Bonds4

About 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene

3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 87085860) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene
PubChem CID87085860
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)F)C(C)F
InChIInChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4H2,1-2H3
InChIKeyDGMTWSBDWCNYJD-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene (CID 87085860) is 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene is C=C(OC(=C)C(C)F)C(C)F.
What is the InChIKey of 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is DGMTWSBDWCNYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5(9)7(3)11-8(4)6(2)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene?
3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 162.18 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 87085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).