5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine

C9H10FN — CID 134365557

IUPAC5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=C(C)C=C(F)C=C1
InChIInChI=1S/C9H10FN/c1-7-5-8(10)3-4-9(6-7)11-2/h3-5,11H,1-2H3
InChIKeyXAYWAYFPSOAZDE-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.06
Rot. Bonds1

About 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine

5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine (PubChem CID 134365557) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine.

Molecular Properties

Compound Name5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
PubChem CID134365557
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=C(C)C=C(F)C=C1
InChIInChI=1S/C9H10FN/c1-7-5-8(10)3-4-9(6-7)11-2/h3-5,11H,1-2H3
InChIKeyXAYWAYFPSOAZDE-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine?
The IUPAC name of 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine (CID 134365557) is 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine.
What is the SMILES notation for 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine?
The canonical SMILES for 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine is CNC1=C=C(C)C=C(F)C=C1.
What is the InChIKey of 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine?
The InChIKey is XAYWAYFPSOAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-7-5-8(10)3-4-9(6-7)11-2/h3-5,11H,1-2H3.
What are the key properties of 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine?
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine has a molecular weight of 151.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine is sourced from PubChem (CID 134365557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).