5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

C8H13FN2 — CID 154507667

IUPAC5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILESCNC1(NC)C=CC=C(F)C1
InChIInChI=1S/C8H13FN2/c1-10-8(11-2)5-3-4-7(9)6-8/h3-5,10-11H,6H2,1-2H3
InChIKeyZEPBYOVXJARRQW-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.93
Rot. Bonds2

About 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 154507667) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
PubChem CID154507667
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILESCNC1(NC)C=CC=C(F)C1
InChIInChI=1S/C8H13FN2/c1-10-8(11-2)5-3-4-7(9)6-8/h3-5,10-11H,6H2,1-2H3
InChIKeyZEPBYOVXJARRQW-UHFFFAOYSA-N
XLogP0.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
1-fluoro-N-propylcyclohexa-2,4-dien-1-amine
CID 163416951
N-ethyl-3-fluorocyclohexa-2,4-dien-1-amine
CID 144190301
4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 144364732
1-N',4-N-dimethylcyclohexa-2,4-diene-1,1,4-triamine
CID 69585129
1-cyclohexa-1,5-dien-1-yl-1-N'-methylethane-1,1-diamine
CID 129182146
2-ethyl-N-methyl-1,2-dihydropyridin-6-amine
CID 129238981
4-bromo-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
CID 140016215
1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
CID 141002110
1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
CID 150686114
1-N,1-N',1-N'-trimethylcyclohexa-2,4-diene-1,1-diamine
CID 152111467
4-chloro-1-N'-methylcyclohexa-2,4-diene-1,1-diamine
CID 154425047

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (CID 154507667) is 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is CNC1(NC)C=CC=C(F)C1.
What is the InChIKey of 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is ZEPBYOVXJARRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-10-8(11-2)5-3-4-7(9)6-8/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 156.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 154507667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).