(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol

C10H12FNO — CID 170294723

IUPAC(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol
SMILESC[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C10H12FNO/c1-10(11)5-4-8(13)9-7(10)3-2-6-12-9/h2-3,6,8,13H,4-5H2,1H3/t8-,10-/m0/s1
InChIKeyIOEJKJFOXPUNPU-WPRPVWTQSA-N
MW181.21 g/mol
LogP2.09
Rot. Bonds

About (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol

(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol (PubChem CID 170294723) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol.

Molecular Properties

Compound Name(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol
PubChem CID170294723
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol
SMILESC[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C10H12FNO/c1-10(11)5-4-8(13)9-7(10)3-2-6-12-9/h2-3,6,8,13H,4-5H2,1H3/t8-,10-/m0/s1
InChIKeyIOEJKJFOXPUNPU-WPRPVWTQSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol?
The IUPAC name of (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol (CID 170294723) is (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol.
What is the SMILES notation for (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol?
The canonical SMILES for (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol is C[C@]1(F)CC[C@H](O)c2ncccc21.
What is the InChIKey of (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol?
The InChIKey is IOEJKJFOXPUNPU-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(11)5-4-8(13)9-7(10)3-2-6-12-9/h2-3,6,8,13H,4-5H2,1H3/t8-,10-/m0/s1.
What are the key properties of (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol?
(5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol has a molecular weight of 181.21 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-5-fluoro-5-methyl-7,8-dihydro-6H-quinolin-8-ol is sourced from PubChem (CID 170294723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).