fluoro(1,2,3,4,5,6-13C6)cyclohexatriene

C6H5F — CID 76973692

IUPACfluoro(1,2,3,4,5,6-13C6)cyclohexatriene
SMILESF[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyPYLWMHQQBFSUBP-IDEBNGHGSA-N
MW102.06 g/mol
LogP1.83
Rot. Bonds

About fluoro(1,2,3,4,5,6-13C6)cyclohexatriene

fluoro(1,2,3,4,5,6-13C6)cyclohexatriene (PubChem CID 76973692) has the molecular formula C6H5F and a molecular weight of 102.06 g/mol. Its IUPAC name is fluoro(1,2,3,4,5,6-13C6)cyclohexatriene.

Molecular Properties

Compound Namefluoro(1,2,3,4,5,6-13C6)cyclohexatriene
PubChem CID76973692
Molecular FormulaC6H5F
Molecular Weight102.06 g/mol
Exact Mass102.06
IUPAC Namefluoro(1,2,3,4,5,6-13C6)cyclohexatriene
SMILESF[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyPYLWMHQQBFSUBP-IDEBNGHGSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.06
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze fluoro(1,2,3,4,5,6-13C6)cyclohexatriene 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 fluoro(1,2,3,4,5,6-13C6)cyclohexatriene?
The IUPAC name of fluoro(1,2,3,4,5,6-13C6)cyclohexatriene (CID 76973692) is fluoro(1,2,3,4,5,6-13C6)cyclohexatriene.
What is the SMILES notation for fluoro(1,2,3,4,5,6-13C6)cyclohexatriene?
The canonical SMILES for fluoro(1,2,3,4,5,6-13C6)cyclohexatriene is F[13c]1[13cH][13cH][13cH][13cH][13cH]1.
What is the InChIKey of fluoro(1,2,3,4,5,6-13C6)cyclohexatriene?
The InChIKey is PYLWMHQQBFSUBP-IDEBNGHGSA-N. The full InChI is InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of fluoro(1,2,3,4,5,6-13C6)cyclohexatriene?
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene has a molecular weight of 102.06 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1,2,3,4,5,6-13C6)cyclohexatriene is sourced from PubChem (CID 76973692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).