4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine

C9H12FN — CID 146550589

IUPAC4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESC=CC1C=C(F)C(NC)=CC1
InChIInChI=1S/C9H12FN/c1-3-7-4-5-9(11-2)8(10)6-7/h3,5-7,11H,1,4H2,2H3
InChIKeyYWRAVVBKHZVJCY-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.15
Rot. Bonds2

About 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine

4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 146550589) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID146550589
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESC=CC1C=C(F)C(NC)=CC1
InChIInChI=1S/C9H12FN/c1-3-7-4-5-9(11-2)8(10)6-7/h3,5-7,11H,1,4H2,2H3
InChIKeyYWRAVVBKHZVJCY-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
CID 67991642
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine
CID 89012394
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
5-tert-butyl-3-fluoro-2-methylidene-1H-pyridine
CID 89639548
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine (CID 146550589) is 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine is C=CC1C=C(F)C(NC)=CC1.
What is the InChIKey of 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is YWRAVVBKHZVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-7-4-5-9(11-2)8(10)6-7/h3,5-7,11H,1,4H2,2H3.
What are the key properties of 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine?
4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 153.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146550589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).