1,3,5-trimethyl-2-(trifluoromethyl)benzene

C10H11F3 — CID 12712331

IUPAC1,3,5-trimethyl-2-(trifluoromethyl)benzene
SMILESCc1cc(C)c(C(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3/c1-6-4-7(2)9(8(3)5-6)10(11,12)13/h4-5H,1-3H3
InChIKeyVDEYYSZYUVCKJS-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.63
Rot. Bonds

About 1,3,5-trimethyl-2-(trifluoromethyl)benzene

1,3,5-trimethyl-2-(trifluoromethyl)benzene (PubChem CID 12712331) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(trifluoromethyl)benzene
PubChem CID12712331
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1,3,5-trimethyl-2-(trifluoromethyl)benzene
SMILESCc1cc(C)c(C(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3/c1-6-4-7(2)9(8(3)5-6)10(11,12)13/h4-5H,1-3H3
InChIKeyVDEYYSZYUVCKJS-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(trifluoromethyl)benzene (CID 12712331) is 1,3,5-trimethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(trifluoromethyl)benzene is Cc1cc(C)c(C(F)(F)F)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(trifluoromethyl)benzene?
The InChIKey is VDEYYSZYUVCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-6-4-7(2)9(8(3)5-6)10(11,12)13/h4-5H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-(trifluoromethyl)benzene?
1,3,5-trimethyl-2-(trifluoromethyl)benzene has a molecular weight of 188.19 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 12712331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).