1-benzyl-3-(trifluoromethyl)benzene

C14H11F3 — CID 522575

IUPAC1-benzyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H11F3/c15-14(16,17)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeySHNGXCGDFPNOCG-UHFFFAOYSA-N
MW236.24 g/mol
LogP4.30
Rot. Bonds2

About 1-benzyl-3-(trifluoromethyl)benzene

1-benzyl-3-(trifluoromethyl)benzene (PubChem CID 522575) has the molecular formula C14H11F3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-benzyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-benzyl-3-(trifluoromethyl)benzene
PubChem CID522575
Molecular FormulaC14H11F3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name1-benzyl-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H11F3/c15-14(16,17)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeySHNGXCGDFPNOCG-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-benzyl-3-(trifluoromethyl)benzene (CID 522575) is 1-benzyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-benzyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-benzyl-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(trifluoromethyl)benzene?
The InChIKey is SHNGXCGDFPNOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3/c15-14(16,17)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-3-(trifluoromethyl)benzene?
1-benzyl-3-(trifluoromethyl)benzene has a molecular weight of 236.24 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 522575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).