4-fluoro-3-(fluoromethyl)but-1-ene

C5H8F2 — CID 123606349

IUPAC4-fluoro-3-(fluoromethyl)but-1-ene
SMILESC=CC(CF)CF
InChIInChI=1S/C5H8F2/c1-2-5(3-6)4-7/h2,5H,1,3-4H2
InChIKeyWEMCTVWMODUVEX-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.73
Rot. Bonds3

About 4-fluoro-3-(fluoromethyl)but-1-ene

4-fluoro-3-(fluoromethyl)but-1-ene (PubChem CID 123606349) has the molecular formula C5H8F2 and a molecular weight of 106.12 g/mol. Its IUPAC name is 4-fluoro-3-(fluoromethyl)but-1-ene.

Molecular Properties

Compound Name4-fluoro-3-(fluoromethyl)but-1-ene
PubChem CID123606349
Molecular FormulaC5H8F2
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name4-fluoro-3-(fluoromethyl)but-1-ene
SMILESC=CC(CF)CF
InChIInChI=1S/C5H8F2/c1-2-5(3-6)4-7/h2,5H,1,3-4H2
InChIKeyWEMCTVWMODUVEX-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 173401341
CID 173401341
2-ethenyl-6,6,6-trifluorohexan-1-ol
CID 89142084
5-fluoro-3,4-bis(fluoromethyl)pent-1-ene
CID 175351865
(2S)-2-ethenyl-4-methylpentan-1-ol
CID 134955687
2-ethenyl-4-methylpentan-1-ol
CID 14272515
(2R)-2-ethenylhexane-1,6-diol
CID 130621473
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
carbonic acid;2-ethylbut-3-en-1-ol
CID 159522260
(3R)-3-fluoropent-4-en-1-ol
CID 101459116
(2R)-2-(cyclopentylmethyl)but-3-en-1-ol
CID 143882420
4-ethoxy-3-(ethoxymethyl)but-1-ene
CID 23573612
hydroxymethyl 3-(hydroxymethyl)pent-4-enoate
CID 175239677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(fluoromethyl)but-1-ene?
The IUPAC name of 4-fluoro-3-(fluoromethyl)but-1-ene (CID 123606349) is 4-fluoro-3-(fluoromethyl)but-1-ene.
What is the SMILES notation for 4-fluoro-3-(fluoromethyl)but-1-ene?
The canonical SMILES for 4-fluoro-3-(fluoromethyl)but-1-ene is C=CC(CF)CF.
What is the InChIKey of 4-fluoro-3-(fluoromethyl)but-1-ene?
The InChIKey is WEMCTVWMODUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-2-5(3-6)4-7/h2,5H,1,3-4H2.
What are the key properties of 4-fluoro-3-(fluoromethyl)but-1-ene?
4-fluoro-3-(fluoromethyl)but-1-ene has a molecular weight of 106.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(fluoromethyl)but-1-ene is sourced from PubChem (CID 123606349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).