1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene

C11H13F — CID 142233895

IUPAC1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene
SMILESCc1ccc(C=CCF)c(C)c1
InChIInChI=1S/C11H13F/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-6,8H,7H2,1-2H3
InChIKeyTXWNHIZOYYOSDC-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.29
Rot. Bonds2

About 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene

1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene (PubChem CID 142233895) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene
PubChem CID142233895
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene
SMILESCc1ccc(C=CCF)c(C)c1
InChIInChI=1S/C11H13F/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-6,8H,7H2,1-2H3
InChIKeyTXWNHIZOYYOSDC-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene (CID 142233895) is 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene is Cc1ccc(C=CCF)c(C)c1.
What is the InChIKey of 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene?
The InChIKey is TXWNHIZOYYOSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene?
1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene has a molecular weight of 164.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-1-enyl)-2,4-dimethylbenzene is sourced from PubChem (CID 142233895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).