2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene

C19H23F — CID 134237119

IUPAC2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C)c(F)c2C)cc1
InChIInChI=1S/C19H23F/c1-4-5-16-7-9-17(10-8-16)11-13-18-12-6-14(2)19(20)15(18)3/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyIWFKZYPDLUDIOJ-UHFFFAOYSA-N
MW270.39 g/mol
LogP5.18
Rot. Bonds5

About 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene

2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 134237119) has the molecular formula C19H23F and a molecular weight of 270.39 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID134237119
Molecular FormulaC19H23F
Molecular Weight270.39 g/mol
Exact Mass270.18
IUPAC Name2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCc1ccc(CCc2ccc(C)c(F)c2C)cc1
InChIInChI=1S/C19H23F/c1-4-5-16-7-9-17(10-8-16)11-13-18-12-6-14(2)19(20)15(18)3/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyIWFKZYPDLUDIOJ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene (CID 134237119) is 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2ccc(C)c(F)c2C)cc1.
What is the InChIKey of 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is IWFKZYPDLUDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F/c1-4-5-16-7-9-17(10-8-16)11-13-18-12-6-14(2)19(20)15(18)3/h6-10,12H,4-5,11,13H2,1-3H3.
What are the key properties of 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene?
2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 270.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 134237119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).