(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline

C12H16FN — CID 42599529

IUPAC(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@@H]1Nc2ccc(F)cc2C[C@@H]1C
InChIInChI=1S/C12H16FN/c1-3-11-8(2)6-9-7-10(13)4-5-12(9)14-11/h4-5,7-8,11,14H,3,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyVITGISNPYNCZAA-KWQFWETISA-N
MW193.27 g/mol
LogP3.21
Rot. Bonds1

About (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline

(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 42599529) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID42599529
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@@H]1Nc2ccc(F)cc2C[C@@H]1C
InChIInChI=1S/C12H16FN/c1-3-11-8(2)6-9-7-10(13)4-5-12(9)14-11/h4-5,7-8,11,14H,3,6H2,1-2H3/t8-,11-/m0/s1
InChIKeyVITGISNPYNCZAA-KWQFWETISA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
CID 82276851
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326429
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2R,4S)-7-fluoro-2-[(E)-pent-1-enyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 139062278
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82408944
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline (CID 42599529) is (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline is CC[C@@H]1Nc2ccc(F)cc2C[C@@H]1C.
What is the InChIKey of (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is VITGISNPYNCZAA-KWQFWETISA-N. The full InChI is InChI=1S/C12H16FN/c1-3-11-8(2)6-9-7-10(13)4-5-12(9)14-11/h4-5,7-8,11,14H,3,6H2,1-2H3/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline?
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 193.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 42599529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).