2-fluoro-1-methyl-4-prop-2-enylbenzene

C10H11F — CID 2759034

IUPAC2-fluoro-1-methyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C)c(F)c1
InChIInChI=1S/C10H11F/c1-3-4-9-6-5-8(2)10(11)7-9/h3,5-7H,1,4H2,2H3
InChIKeyMXWHLXIDAHDMNR-UHFFFAOYSA-N
MW150.20 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-1-methyl-4-prop-2-enylbenzene

2-fluoro-1-methyl-4-prop-2-enylbenzene (PubChem CID 2759034) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-prop-2-enylbenzene
PubChem CID2759034
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name2-fluoro-1-methyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C)c(F)c1
InChIInChI=1S/C10H11F/c1-3-4-9-6-5-8(2)10(11)7-9/h3,5-7H,1,4H2,2H3
InChIKeyMXWHLXIDAHDMNR-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-prop-2-enylbenzene?
The IUPAC name of 2-fluoro-1-methyl-4-prop-2-enylbenzene (CID 2759034) is 2-fluoro-1-methyl-4-prop-2-enylbenzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-prop-2-enylbenzene?
The canonical SMILES for 2-fluoro-1-methyl-4-prop-2-enylbenzene is C=CCc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1-methyl-4-prop-2-enylbenzene?
The InChIKey is MXWHLXIDAHDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F/c1-3-4-9-6-5-8(2)10(11)7-9/h3,5-7H,1,4H2,2H3.
What are the key properties of 2-fluoro-1-methyl-4-prop-2-enylbenzene?
2-fluoro-1-methyl-4-prop-2-enylbenzene has a molecular weight of 150.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-prop-2-enylbenzene is sourced from PubChem (CID 2759034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).