[fluoro(fluoro)methyl]benzene

C7H6F2 — CID 146164458

IUPAC[fluoro(fluoro)methyl]benzene
SMILESFC([18F])c1ccccc1
InChIInChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H/i8-1
InChIKeyJDZLOJYSBBLXQD-COJKEBBMSA-N
MW127.12 g/mol
LogP2.62
Rot. Bonds1

About [fluoro(fluoro)methyl]benzene

[fluoro(fluoro)methyl]benzene (PubChem CID 146164458) has the molecular formula C7H6F2 and a molecular weight of 127.12 g/mol. Its IUPAC name is [fluoro(fluoro)methyl]benzene.

Molecular Properties

Compound Name[fluoro(fluoro)methyl]benzene
PubChem CID146164458
Molecular FormulaC7H6F2
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name[fluoro(fluoro)methyl]benzene
SMILESFC([18F])c1ccccc1
InChIInChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H/i8-1
InChIKeyJDZLOJYSBBLXQD-COJKEBBMSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [fluoro(fluoro)methyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Propylbenzene
CID 7668
trans-beta-METHYLSTYRENE
CID 252325
Allylbenzene
CID 9309
(Trifluoromethyl)benzene
CID 7368
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606
2-Fluorotoluene
CID 7241

Frequently Asked Questions

What is the IUPAC name of [fluoro(fluoro)methyl]benzene?
The IUPAC name of [fluoro(fluoro)methyl]benzene (CID 146164458) is [fluoro(fluoro)methyl]benzene.
What is the SMILES notation for [fluoro(fluoro)methyl]benzene?
The canonical SMILES for [fluoro(fluoro)methyl]benzene is FC([18F])c1ccccc1.
What is the InChIKey of [fluoro(fluoro)methyl]benzene?
The InChIKey is JDZLOJYSBBLXQD-COJKEBBMSA-N. The full InChI is InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H/i8-1.
What are the key properties of [fluoro(fluoro)methyl]benzene?
[fluoro(fluoro)methyl]benzene has a molecular weight of 127.12 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(fluoro)methyl]benzene is sourced from PubChem (CID 146164458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).