4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene

C15H15F — CID 144566746

IUPAC4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene
SMILESC/C=C(\C)c1ccc(C)c2cccc(F)c12
InChIInChI=1S/C15H15F/c1-4-10(2)13-9-8-11(3)12-6-5-7-14(16)15(12)13/h4-9H,1-3H3/b10-4+
InChIKeyJIROJBHIQWCADN-ONNFQVAWSA-N
MW214.28 g/mol
LogP4.71
Rot. Bonds1

About 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene

4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene (PubChem CID 144566746) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene
PubChem CID144566746
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene
SMILESC/C=C(\C)c1ccc(C)c2cccc(F)c12
InChIInChI=1S/C15H15F/c1-4-10(2)13-9-8-11(3)12-6-5-7-14(16)15(12)13/h4-9H,1-3H3/b10-4+
InChIKeyJIROJBHIQWCADN-ONNFQVAWSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene (CID 144566746) is 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene is C/C=C(\C)c1ccc(C)c2cccc(F)c12.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene?
The InChIKey is JIROJBHIQWCADN-ONNFQVAWSA-N. The full InChI is InChI=1S/C15H15F/c1-4-10(2)13-9-8-11(3)12-6-5-7-14(16)15(12)13/h4-9H,1-3H3/b10-4+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene?
4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene has a molecular weight of 214.28 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-5-fluoro-1-methylnaphthalene is sourced from PubChem (CID 144566746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).