6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine

C6H6FN — CID 76974055

IUPAC6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
SMILESN[13c]1[13cH][13cH][13cH][13cH][13c]1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyFTZQXOJYPFINKJ-IDEBNGHGSA-N
MW117.07 g/mol
LogP1.41
Rot. Bonds

About 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine

6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine (PubChem CID 76974055) has the molecular formula C6H6FN and a molecular weight of 117.07 g/mol. Its IUPAC name is 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
PubChem CID76974055
Molecular FormulaC6H6FN
Molecular Weight117.07 g/mol
Exact Mass117.07
IUPAC Name6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
SMILESN[13c]1[13cH][13cH][13cH][13cH][13c]1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyFTZQXOJYPFINKJ-IDEBNGHGSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.07
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine 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

2-(18F)fluoro(18F)aniline;hydrochloride
CID 11423671
aniline;2-fluoroaniline
CID 154966061
2-fluoroaniline;formic acid
CID 158878757
2-fluoroaniline;nitrobenzene
CID 67592435
1,2-difluorobenzene;hydrazine;hydrobromide
CID 174886946
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
2-amino-6-fluorophenol;hydrochloride
CID 174428630
3-fluorobenzene-1,2-diamine;sulfur monoxide
CID 144699630
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
CID 175145864
CID 175145864

Frequently Asked Questions

What is the IUPAC name of 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine?
The IUPAC name of 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine (CID 76974055) is 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine.
What is the SMILES notation for 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine?
The canonical SMILES for 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine is N[13c]1[13cH][13cH][13cH][13cH][13c]1F.
What is the InChIKey of 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine?
The InChIKey is FTZQXOJYPFINKJ-IDEBNGHGSA-N. The full InChI is InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine?
6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine has a molecular weight of 117.07 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine is sourced from PubChem (CID 76974055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).