1,3,5-tris(fluoromethyl)benzene

C9H9F3 — CID 91293384

IUPAC1,3,5-tris(fluoromethyl)benzene
SMILESFCc1cc(CF)cc(CF)c1
InChIInChI=1S/C9H9F3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKeyHSXAWWHKLYVZMY-UHFFFAOYSA-N
MW174.16 g/mol
LogP3.10
Rot. Bonds3

About 1,3,5-tris(fluoromethyl)benzene

1,3,5-tris(fluoromethyl)benzene (PubChem CID 91293384) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,3,5-tris(fluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(fluoromethyl)benzene
PubChem CID91293384
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name1,3,5-tris(fluoromethyl)benzene
SMILESFCc1cc(CF)cc(CF)c1
InChIInChI=1S/C9H9F3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKeyHSXAWWHKLYVZMY-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-tris(fluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(fluoromethyl)benzene?
The IUPAC name of 1,3,5-tris(fluoromethyl)benzene (CID 91293384) is 1,3,5-tris(fluoromethyl)benzene.
What is the SMILES notation for 1,3,5-tris(fluoromethyl)benzene?
The canonical SMILES for 1,3,5-tris(fluoromethyl)benzene is FCc1cc(CF)cc(CF)c1.
What is the InChIKey of 1,3,5-tris(fluoromethyl)benzene?
The InChIKey is HSXAWWHKLYVZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2.
What are the key properties of 1,3,5-tris(fluoromethyl)benzene?
1,3,5-tris(fluoromethyl)benzene has a molecular weight of 174.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(fluoromethyl)benzene is sourced from PubChem (CID 91293384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).