5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine

C8H7F2N — CID 134365755

IUPAC5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCNC1=CC=C=C(F)C(F)=C1
InChIInChI=1S/C8H7F2N/c1-11-6-3-2-4-7(9)8(10)5-6/h2-3,5,11H,1H3
InChIKeyNJYGISFKBQSRFN-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.97
Rot. Bonds1

About 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine

5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine (PubChem CID 134365755) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine.

Molecular Properties

Compound Name5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
PubChem CID134365755
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCNC1=CC=C=C(F)C(F)=C1
InChIInChI=1S/C8H7F2N/c1-11-6-3-2-4-7(9)8(10)5-6/h2-3,5,11H,1H3
InChIKeyNJYGISFKBQSRFN-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The IUPAC name of 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine (CID 134365755) is 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine.
What is the SMILES notation for 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The canonical SMILES for 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine is CNC1=CC=C=C(F)C(F)=C1.
What is the InChIKey of 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The InChIKey is NJYGISFKBQSRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c1-11-6-3-2-4-7(9)8(10)5-6/h2-3,5,11H,1H3.
What are the key properties of 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine has a molecular weight of 155.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine is sourced from PubChem (CID 134365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).