(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene

C9H15F — CID 142535063

IUPAC(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
SMILESC/C=C(\C)F.C=CC(=C)C
InChIInChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-3-4(2)5/h4H,1-2H2,3H3;3H,1-2H3/b;4-3+
InChIKeyVQBKSLCJBZRYRL-SCBDLNNBSA-N
MW142.22 g/mol
LogP3.63
Rot. Bonds1

About (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene

(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene (PubChem CID 142535063) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
PubChem CID142535063
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
SMILESC/C=C(\C)F.C=CC(=C)C
InChIInChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-3-4(2)5/h4H,1-2H2,3H3;3H,1-2H3/b;4-3+
InChIKeyVQBKSLCJBZRYRL-SCBDLNNBSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.63
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

bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
formonitrile;2-methylbuta-1,3-diene
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methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
acetic acid;2-methylbuta-1,3-diene
CID 162329319
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
2-fluorobuta-1,3-diene
CID 551655
2-methylbuta-1,3-diene;pyrazine
CID 175573056

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene?
The IUPAC name of (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene (CID 142535063) is (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene.
What is the SMILES notation for (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene?
The canonical SMILES for (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene is C/C=C(\C)F.C=CC(=C)C.
What is the InChIKey of (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene?
The InChIKey is VQBKSLCJBZRYRL-SCBDLNNBSA-N. The full InChI is InChI=1S/C5H8.C4H7F/c1-4-5(2)3;1-3-4(2)5/h4H,1-2H2,3H3;3H,1-2H3/b;4-3+.
What are the key properties of (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene?
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene has a molecular weight of 142.22 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene is sourced from PubChem (CID 142535063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).