1-methyl-3-phenyl-5-(trifluoromethyl)benzene

C14H11F3 — CID 46315073

IUPAC1-methyl-3-phenyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3/c1-10-7-12(11-5-3-2-4-6-11)9-13(8-10)14(15,16)17/h2-9H,1H3
InChIKeyWKRHIPIIJGPJSB-UHFFFAOYSA-N
MW236.24 g/mol
LogP4.68
Rot. Bonds1

About 1-methyl-3-phenyl-5-(trifluoromethyl)benzene

1-methyl-3-phenyl-5-(trifluoromethyl)benzene (PubChem CID 46315073) has the molecular formula C14H11F3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-(trifluoromethyl)benzene
PubChem CID46315073
Molecular FormulaC14H11F3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name1-methyl-3-phenyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3/c1-10-7-12(11-5-3-2-4-6-11)9-13(8-10)14(15,16)17/h2-9H,1H3
InChIKeyWKRHIPIIJGPJSB-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3-phenyl-5-(trifluoromethyl)benzene (CID 46315073) is 1-methyl-3-phenyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3-phenyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3-phenyl-5-(trifluoromethyl)benzene is Cc1cc(-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-phenyl-5-(trifluoromethyl)benzene?
The InChIKey is WKRHIPIIJGPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3/c1-10-7-12(11-5-3-2-4-6-11)9-13(8-10)14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methyl-3-phenyl-5-(trifluoromethyl)benzene?
1-methyl-3-phenyl-5-(trifluoromethyl)benzene has a molecular weight of 236.24 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 46315073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).