(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline

C10H12FN — CID 170295856

IUPAC(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline
SMILESC=C1CC[C@H](F)C2=CCCN=C12
InChIInChI=1S/C10H12FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,9H,1-2,4-6H2/t9-/m0/s1
InChIKeySWIFQOUCFQTRDT-VIFPVBQESA-N
MW165.21 g/mol
LogP2.45
Rot. Bonds

About (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline

(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline (PubChem CID 170295856) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline
PubChem CID170295856
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline
SMILESC=C1CC[C@H](F)C2=CCCN=C12
InChIInChI=1S/C10H12FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,9H,1-2,4-6H2/t9-/m0/s1
InChIKeySWIFQOUCFQTRDT-VIFPVBQESA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline
CID 170296705
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
CID 174141813
2,3,4,6-Tetrahydroquinoline
CID 20558379
2,3,5,8-Tetrahydroquinoline
CID 57204244
3-Methyl-2,3,5,8-tetrahydroquinoline
CID 57323267
2,3,7,8-Tetrahydroquinoline
CID 68102517
5,8-Dimethyl-2,3-dihydroquinoline
CID 123611149
3-Methyl-2,3,5,6,7,8-hexahydroquinoline
CID 143725107

Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline?
The IUPAC name of (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline (CID 170295856) is (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline.
What is the SMILES notation for (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline?
The canonical SMILES for (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline is C=C1CC[C@H](F)C2=CCCN=C12.
What is the InChIKey of (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline?
The InChIKey is SWIFQOUCFQTRDT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h3,9H,1-2,4-6H2/t9-/m0/s1.
What are the key properties of (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline?
(5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline has a molecular weight of 165.21 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-8-methylidene-3,5,6,7-tetrahydro-2H-quinoline is sourced from PubChem (CID 170295856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).