6-fluoro-1,2,3,8a-tetrahydrocinnoline

C8H9FN2 — CID 133062589

IUPAC6-fluoro-1,2,3,8a-tetrahydrocinnoline
SMILESFC1=CC2=CCNNC2C=C1
InChIInChI=1S/C8H9FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-3,5,8,10-11H,4H2
InChIKeyTXYAVWZXMCYNEU-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.81
Rot. Bonds

About 6-fluoro-1,2,3,8a-tetrahydrocinnoline

6-fluoro-1,2,3,8a-tetrahydrocinnoline (PubChem CID 133062589) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 6-fluoro-1,2,3,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name6-fluoro-1,2,3,8a-tetrahydrocinnoline
PubChem CID133062589
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name6-fluoro-1,2,3,8a-tetrahydrocinnoline
SMILESFC1=CC2=CCNNC2C=C1
InChIInChI=1S/C8H9FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-3,5,8,10-11H,4H2
InChIKeyTXYAVWZXMCYNEU-UHFFFAOYSA-N
XLogP0.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 70318660
(2-Fluoro-3-methylidenecyclohexa-1,5-dien-1-yl)methylhydrazine
CID 123304342
(4-Fluoro-3,6-dimethylcyclohexa-2,4-dien-1-yl)hydrazine
CID 134385712
(6-Fluorocyclohexa-1,5-dien-1-yl)methylhydrazine
CID 144419825
4-Fluoro-2,3-dihydronaphthalen-2-amine
CID 146232935
(6,6-Difluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 151261186
1-[(Z)-7,7-difluoro-3-methylidenehept-4-en-2-yl]-2-methylhydrazine
CID 155273413
[(4E)-4-[(E)-2-fluoroprop-1-enyl]hepta-4,6-dien-3-yl]hydrazine
CID 163665190
(2-Fluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 163845779
1-(2-fluoroethyl)-2-[(Z)-2-methylidenepent-3-enyl]hydrazine
CID 170076809
7-Fluoro-2,3-dihydronaphthalen-2-amine
CID 170229740
1-(2-Fluoroethyl)-2-(2-methylidenepent-3-enyl)hydrazine
CID 174096071

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,3,8a-tetrahydrocinnoline?
The IUPAC name of 6-fluoro-1,2,3,8a-tetrahydrocinnoline (CID 133062589) is 6-fluoro-1,2,3,8a-tetrahydrocinnoline.
What is the SMILES notation for 6-fluoro-1,2,3,8a-tetrahydrocinnoline?
The canonical SMILES for 6-fluoro-1,2,3,8a-tetrahydrocinnoline is FC1=CC2=CCNNC2C=C1.
What is the InChIKey of 6-fluoro-1,2,3,8a-tetrahydrocinnoline?
The InChIKey is TXYAVWZXMCYNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-3,5,8,10-11H,4H2.
What are the key properties of 6-fluoro-1,2,3,8a-tetrahydrocinnoline?
6-fluoro-1,2,3,8a-tetrahydrocinnoline has a molecular weight of 152.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,8a-tetrahydrocinnoline is sourced from PubChem (CID 133062589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).