(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine

C8H10FN — CID 123258776

IUPAC(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine
SMILESNCC1=CCC=C(F)C=C1
InChIInChI=1S/C8H10FN/c9-8-3-1-2-7(6-10)4-5-8/h2-5H,1,6,10H2
InChIKeyFINXWUNMCWCACQ-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.68
Rot. Bonds1

About (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine

(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine (PubChem CID 123258776) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine
PubChem CID123258776
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine
SMILESNCC1=CCC=C(F)C=C1
InChIInChI=1S/C8H10FN/c9-8-3-1-2-7(6-10)4-5-8/h2-5H,1,6,10H2
InChIKeyFINXWUNMCWCACQ-UHFFFAOYSA-N
XLogP1.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine 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 (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine?
The IUPAC name of (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine (CID 123258776) is (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine.
What is the SMILES notation for (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine?
The canonical SMILES for (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine is NCC1=CCC=C(F)C=C1.
What is the InChIKey of (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine?
The InChIKey is FINXWUNMCWCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-3-1-2-7(6-10)4-5-8/h2-5H,1,6,10H2.
What are the key properties of (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine?
(5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine has a molecular weight of 139.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorocyclohepta-1,4,6-trien-1-yl)methanamine is sourced from PubChem (CID 123258776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).