3-fluoro-2-methoxybut-1-ene

C5H9FO — CID 88556329

IUPAC3-fluoro-2-methoxybut-1-ene
SMILESC=C(OC)C(C)F
InChIInChI=1S/C5H9FO/c1-4(6)5(2)7-3/h4H,2H2,1,3H3
InChIKeyCJFGTGVKWSXBJY-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.50
Rot. Bonds2

About 3-fluoro-2-methoxybut-1-ene

3-fluoro-2-methoxybut-1-ene (PubChem CID 88556329) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 3-fluoro-2-methoxybut-1-ene.

Molecular Properties

Compound Name3-fluoro-2-methoxybut-1-ene
PubChem CID88556329
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name3-fluoro-2-methoxybut-1-ene
SMILESC=C(OC)C(C)F
InChIInChI=1S/C5H9FO/c1-4(6)5(2)7-3/h4H,2H2,1,3H3
InChIKeyCJFGTGVKWSXBJY-UHFFFAOYSA-N
XLogP1.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.50
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-Methoxy-1-butene
CID 141167
2-(Fluoromethoxy)prop-1-ene
CID 59171280
3-Fluoro-2-(3-fluorobut-1-en-2-yloxy)but-1-ene
CID 87085860
3,3-Difluoro-2-methoxybut-1-ene
CID 89018192
1-Fluoro-2-methoxyprop-1-ene
CID 90694612
2-(Difluoromethoxy)but-1-ene
CID 122541919
5-Fluoro-2-methoxypent-1-ene
CID 122541942
2-(Difluoromethoxy)pent-1-ene
CID 123931910
3,3,5-Trifluoro-2-methoxyhexa-1,5-diene
CID 132153170
4,4,4-Trifluoro-2-prop-1-en-2-yloxybut-1-ene
CID 139572330
1-Fluoro-2-(1-fluorobut-1-en-2-yloxy)but-1-ene
CID 141061369
3,3-Difluoro-2-methoxybut-1-ene;ethene
CID 143721683

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxybut-1-ene?
The IUPAC name of 3-fluoro-2-methoxybut-1-ene (CID 88556329) is 3-fluoro-2-methoxybut-1-ene.
What is the SMILES notation for 3-fluoro-2-methoxybut-1-ene?
The canonical SMILES for 3-fluoro-2-methoxybut-1-ene is C=C(OC)C(C)F.
What is the InChIKey of 3-fluoro-2-methoxybut-1-ene?
The InChIKey is CJFGTGVKWSXBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-4(6)5(2)7-3/h4H,2H2,1,3H3.
What are the key properties of 3-fluoro-2-methoxybut-1-ene?
3-fluoro-2-methoxybut-1-ene has a molecular weight of 104.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxybut-1-ene is sourced from PubChem (CID 88556329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).