2-fluoro-3-methylbuta-1,3-diene

C5H7F — CID 12586002

IUPAC2-fluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)F
InChIInChI=1S/C5H7F/c1-4(2)5(3)6/h1,3H2,2H3
InChIKeyYAYWOMCZHXJZEP-UHFFFAOYSA-N
MW86.11 g/mol
LogP2.05
Rot. Bonds1

About 2-fluoro-3-methylbuta-1,3-diene

2-fluoro-3-methylbuta-1,3-diene (PubChem CID 12586002) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 2-fluoro-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-3-methylbuta-1,3-diene
PubChem CID12586002
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name2-fluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)F
InChIInChI=1S/C5H7F/c1-4(2)5(3)6/h1,3H2,2H3
InChIKeyYAYWOMCZHXJZEP-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1,3-butadiene
CID 10566
2,3-Bis[(~2~H_3_)methyl](~2~H_4_)buta-1,3-diene
CID 71310103
1,2,4-Pentatriene, 3,4-dimethyl-
CID 142394
1,1-Difluoro-3-methyl-1,3-butadiene
CID 13759165
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
Fluoroisoprene
CID 90956768
4-Fluoro-2-methyl-1-butene
CID 13669111
1,1,2-Trifluoro-3-methylbuta-1,3-diene
CID 18520937
(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene
CID 19781230
(Z)-1,3,3-trifluoro-2-methylbut-1-ene
CID 19788895
3-Fluoro-2-ethyl-1-propene
CID 20980247

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylbuta-1,3-diene?
The IUPAC name of 2-fluoro-3-methylbuta-1,3-diene (CID 12586002) is 2-fluoro-3-methylbuta-1,3-diene.
What is the SMILES notation for 2-fluoro-3-methylbuta-1,3-diene?
The canonical SMILES for 2-fluoro-3-methylbuta-1,3-diene is C=C(C)C(=C)F.
What is the InChIKey of 2-fluoro-3-methylbuta-1,3-diene?
The InChIKey is YAYWOMCZHXJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-4(2)5(3)6/h1,3H2,2H3.
What are the key properties of 2-fluoro-3-methylbuta-1,3-diene?
2-fluoro-3-methylbuta-1,3-diene has a molecular weight of 86.11 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbuta-1,3-diene is sourced from PubChem (CID 12586002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).