5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine

C8H8FN — CID 134424612

IUPAC5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=CC=C(F)C=C1
InChIInChI=1S/C8H8FN/c1-10-8-4-2-3-7(9)5-6-8/h2-3,5-6,10H,1H3
InChIKeySZVGIIYPWKCXRM-UHFFFAOYSA-N
MW137.16 g/mol
LogP1.67
Rot. Bonds1

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

5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine (PubChem CID 134424612) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine.

Molecular Properties

Compound Name5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
PubChem CID134424612
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
SMILESCNC1=C=CC=C(F)C=C1
InChIInChI=1S/C8H8FN/c1-10-8-4-2-3-7(9)5-6-8/h2-3,5-6,10H,1H3
InChIKeySZVGIIYPWKCXRM-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
7-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 132162665
7-ethenyl-3-fluoro-2-methyl-1H-azepine
CID 132179929
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
(2Z)-3-fluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 134365597
5,6-difluoro-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 134365755
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine?
The IUPAC name of 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine (CID 134424612) is 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine.
What is the SMILES notation for 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine?
The canonical SMILES for 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine is CNC1=C=CC=C(F)C=C1.
What is the InChIKey of 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine?
The InChIKey is SZVGIIYPWKCXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN/c1-10-8-4-2-3-7(9)5-6-8/h2-3,5-6,10H,1H3.
What are the key properties of 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine?
5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine has a molecular weight of 137.16 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine is sourced from PubChem (CID 134424612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).