3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine

C8H10FN — CID 142969751

IUPAC3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CC(F)C=CC=C1
InChIInChI=1S/C8H10FN/c1-10-8-5-3-2-4-7(9)6-8/h2-7,10H,1H3
InChIKeyTUSMMWSLNIVPDR-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.55
Rot. Bonds1

About 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine

3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine (PubChem CID 142969751) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
PubChem CID142969751
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CC(F)C=CC=C1
InChIInChI=1S/C8H10FN/c1-10-8-5-3-2-4-7(9)6-8/h2-7,10H,1H3
InChIKeyTUSMMWSLNIVPDR-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine (CID 142969751) is 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine is CNC1=CC(F)C=CC=C1.
What is the InChIKey of 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is TUSMMWSLNIVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-10-8-5-3-2-4-7(9)6-8/h2-7,10H,1H3.
What are the key properties of 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 139.17 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 142969751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).