1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene

C18H19F3 — CID 54377530

IUPAC1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
SMILESCc1cccc(C)c1CCCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3/c1-13-7-5-8-14(2)16(13)11-6-10-15-9-3-4-12-17(15)18(19,20)21/h3-5,7-9,12H,6,10-11H2,1-2H3
InChIKeyVFDHVEBGUCDYPU-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.50
Rot. Bonds4

About 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene

1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene (PubChem CID 54377530) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
PubChem CID54377530
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
SMILESCc1cccc(C)c1CCCc1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3/c1-13-7-5-8-14(2)16(13)11-6-10-15-9-3-4-12-17(15)18(19,20)21/h3-5,7-9,12H,6,10-11H2,1-2H3
InChIKeyVFDHVEBGUCDYPU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene?
The IUPAC name of 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene (CID 54377530) is 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene?
The canonical SMILES for 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene is Cc1cccc(C)c1CCCc1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene?
The InChIKey is VFDHVEBGUCDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-13-7-5-8-14(2)16(13)11-6-10-15-9-3-4-12-17(15)18(19,20)21/h3-5,7-9,12H,6,10-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene?
1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene has a molecular weight of 292.34 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene is sourced from PubChem (CID 54377530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).