3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene

C9H15F — CID 144585247

IUPAC3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
SMILESC=C(C)CF.C=CC(=C)C
InChIInChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-4(2)3-5/h4H,1-2H2,3H3;1,3H2,2H3
InChIKeySENAINFOWAKQJY-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.28
Rot. Bonds2

About 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene

3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene (PubChem CID 144585247) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
PubChem CID144585247
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
SMILESC=C(C)CF.C=CC(=C)C
InChIInChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-4(2)3-5/h4H,1-2H2,3H3;1,3H2,2H3
InChIKeySENAINFOWAKQJY-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
formonitrile;2-methylbuta-1,3-diene
CID 159945395
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
acetic acid;2-methylbuta-1,3-diene
CID 162329319
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene?
The IUPAC name of 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene (CID 144585247) is 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene.
What is the SMILES notation for 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene?
The canonical SMILES for 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene is C=C(C)CF.C=CC(=C)C.
What is the InChIKey of 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene?
The InChIKey is SENAINFOWAKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-4(2)3-5/h4H,1-2H2,3H3;1,3H2,2H3.
What are the key properties of 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene?
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene has a molecular weight of 142.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene is sourced from PubChem (CID 144585247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).