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

C8H12F2O — CID 141061369

IUPAC1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene
SMILESCCC(=CF)OC(=CF)CC
InChIInChI=1S/C8H12F2O/c1-3-7(5-9)11-8(4-2)6-10/h5-6H,3-4H2,1-2H3
InChIKeyBGTDZFAINGETAV-UHFFFAOYSA-N
MW162.18 g/mol
LogP3.44
Rot. Bonds4

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

1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 141061369) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene
PubChem CID141061369
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene
SMILESCCC(=CF)OC(=CF)CC
InChIInChI=1S/C8H12F2O/c1-3-7(5-9)11-8(4-2)6-10/h5-6H,3-4H2,1-2H3
InChIKeyBGTDZFAINGETAV-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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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Related Compounds

2-(1,1-Difluorobut-1-en-2-yloxy)-1,1-difluorobut-1-ene
CID 19868276
4-Fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene
CID 22623367
5-Fluoro-2-(5-fluoropent-1-en-2-yloxy)pent-1-ene
CID 87085844
3-Fluoro-2-(3-fluoropent-1-en-2-yloxy)pent-1-ene
CID 87085846
3-Fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene
CID 87085860
3-Fluoro-2-(3-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
CID 87087099
1-Fluoro-2-(1-fluoropenta-1,4-dien-2-yloxy)penta-1,4-diene
CID 87205929
4,4,4-Trifluoro-2-(4,4,4-trifluorobut-1-en-2-yloxy)but-1-ene
CID 87227790
1-Fluoro-2-(1-fluoropent-1-en-2-yloxy)pent-1-ene
CID 88081606
3-Fluoro-2-methoxybut-1-ene
CID 88556329
3,3,4,4,4-Pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene
CID 88596760
1-Fluoro-2-(1-fluoroprop-1-en-2-yloxy)prop-1-ene
CID 88635706

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene (CID 141061369) is 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene is CCC(=CF)OC(=CF)CC.
What is the InChIKey of 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is BGTDZFAINGETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-3-7(5-9)11-8(4-2)6-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene?
1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 162.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 141061369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).