1-methyl-2-(trifluoromethyl)benzene

C8H7F3 — CID 2775324

IUPAC1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChIKeyDVFVNJHIVAPTMS-UHFFFAOYSA-N
MW160.14 g/mol
LogP3.01
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)benzene

1-methyl-2-(trifluoromethyl)benzene (PubChem CID 2775324) has the molecular formula C8H7F3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)benzene
PubChem CID2775324
Molecular FormulaC8H7F3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChIKeyDVFVNJHIVAPTMS-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-(trifluoromethyl)benzene (CID 2775324) is 1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)benzene is Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is DVFVNJHIVAPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)benzene?
1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 160.14 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 2775324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).