5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine

C8H12FN — CID 163848812

IUPAC5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C)C=CC(F)C1
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3-4,7,10H,5H2,1-2H3
InChIKeyOSNUUIGRQANBNS-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.78
Rot. Bonds1

About 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine

5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 163848812) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID163848812
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C)C=CC(F)C1
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3-4,7,10H,5H2,1-2H3
InChIKeyOSNUUIGRQANBNS-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
5-ethyl-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 70492008
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519
N-[(1E,3Z)-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)penta-1,3-dienyl]methanimine
CID 130331428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine (CID 163848812) is 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine is CNC1=C(C)C=CC(F)C1.
What is the InChIKey of 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is OSNUUIGRQANBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3-4,7,10H,5H2,1-2H3.
What are the key properties of 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163848812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).