6-fluoro-N-methylcyclohexa-1,3-dien-1-amine

C7H10FN — CID 146924911

IUPAC6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=CCC1F
InChIInChI=1S/C7H10FN/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6,9H,4H2,1H3
InChIKeyADWWJRQLQHEABG-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.39
Rot. Bonds1

About 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine

6-fluoro-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 146924911) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID146924911
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=CCC1F
InChIInChI=1S/C7H10FN/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6,9H,4H2,1H3
InChIKeyADWWJRQLQHEABG-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
CID 143683751
[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene
CID 89327796
2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601
3-(methylamino)-1,2-dihydropyridin-2-ol
CID 118083871
6-ethylcyclohexa-1,3-dien-1-ol
CID 143062625
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine
CID 175279071
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
N-methylcyclopent-3-en-1-amine
CID 21306607
6-(11,11-dimethylnaphtho[1,2-b][1]benzothiol-3-yl)-N-methylcyclohexa-1,3-dien-1-amine
CID 145261593
(6R)-1-methyl-6-propylcyclohexa-1,3-diene
CID 163989420
(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine
CID 156803399

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine (CID 146924911) is 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine is CNC1=CC=CCC1F.
What is the InChIKey of 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is ADWWJRQLQHEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-9-7-5-3-2-4-6(7)8/h2-3,5-6,9H,4H2,1H3.
What are the key properties of 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine?
6-fluoro-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 146924911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).