1,3,5-trifluoro-2-methylbenzene

C7H5F3 — CID 2782639

IUPAC1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F
InChIInChI=1S/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
InChIKeyHZCVONJWZPKKBI-UHFFFAOYSA-N
MW146.11 g/mol
LogP2.41
Rot. Bonds

About 1,3,5-trifluoro-2-methylbenzene

1,3,5-trifluoro-2-methylbenzene (PubChem CID 2782639) has the molecular formula C7H5F3 and a molecular weight of 146.11 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-methylbenzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-methylbenzene
PubChem CID2782639
Molecular FormulaC7H5F3
Molecular Weight146.11 g/mol
Exact Mass146.03
IUPAC Name1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F
InChIInChI=1S/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
InChIKeyHZCVONJWZPKKBI-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-methylbenzene?
The IUPAC name of 1,3,5-trifluoro-2-methylbenzene (CID 2782639) is 1,3,5-trifluoro-2-methylbenzene.
What is the SMILES notation for 1,3,5-trifluoro-2-methylbenzene?
The canonical SMILES for 1,3,5-trifluoro-2-methylbenzene is Cc1c(F)cc(F)cc1F.
What is the InChIKey of 1,3,5-trifluoro-2-methylbenzene?
The InChIKey is HZCVONJWZPKKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3.
What are the key properties of 1,3,5-trifluoro-2-methylbenzene?
1,3,5-trifluoro-2-methylbenzene has a molecular weight of 146.11 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-methylbenzene is sourced from PubChem (CID 2782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).