1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene

C14H15F — CID 174343933

IUPAC1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene
SMILESC#CC(=C)C(C)(F)c1cc(C)cc(C)c1
InChIInChI=1S/C14H15F/c1-6-12(4)14(5,15)13-8-10(2)7-11(3)9-13/h1,7-9H,4H2,2-3,5H3
InChIKeyCKSPKISNGIZBKY-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.68
Rot. Bonds2

About 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene

1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene (PubChem CID 174343933) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene
PubChem CID174343933
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene
SMILESC#CC(=C)C(C)(F)c1cc(C)cc(C)c1
InChIInChI=1S/C14H15F/c1-6-12(4)14(5,15)13-8-10(2)7-11(3)9-13/h1,7-9H,4H2,2-3,5H3
InChIKeyCKSPKISNGIZBKY-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene?
The IUPAC name of 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene (CID 174343933) is 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene?
The canonical SMILES for 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene is C#CC(=C)C(C)(F)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene?
The InChIKey is CKSPKISNGIZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-6-12(4)14(5,15)13-8-10(2)7-11(3)9-13/h1,7-9H,4H2,2-3,5H3.
What are the key properties of 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene?
1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene has a molecular weight of 202.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylidenepent-4-yn-2-yl)-3,5-dimethylbenzene is sourced from PubChem (CID 174343933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).