[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol

C10H12FNO — CID 42333638

IUPAC[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol
SMILESOC[C@@H]1CNc2c(F)cccc2C1
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-8-4-7(6-13)5-12-10(8)9/h1-3,7,12-13H,4-6H2/t7-/m0/s1
InChIKeyYSSCNMSZKKSOEM-ZETCQYMHSA-N
MW181.21 g/mol
LogP1.40
Rot. Bonds1

About [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol

[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol (PubChem CID 42333638) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol
PubChem CID42333638
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol
SMILESOC[C@@H]1CNc2c(F)cccc2C1
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-8-4-7(6-13)5-12-10(8)9/h1-3,7,12-13H,4-6H2/t7-/m0/s1
InChIKeyYSSCNMSZKKSOEM-ZETCQYMHSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-8-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96622835
9-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 82395177
(8-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82410725
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)methanol
CID 23292331
2,3-dihydro-1H-inden-2-ylmethanol;ethane
CID 91145840
8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83885689
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
2-(difluoromethyl)-7-fluoro-2,3-dihydro-1H-indole
CID 84660863
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
3-amino-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84618485
(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 42079847

Frequently Asked Questions

What is the IUPAC name of [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol?
The IUPAC name of [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol (CID 42333638) is [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol.
What is the SMILES notation for [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol?
The canonical SMILES for [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol is OC[C@@H]1CNc2c(F)cccc2C1.
What is the InChIKey of [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol?
The InChIKey is YSSCNMSZKKSOEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-1-2-8-4-7(6-13)5-12-10(8)9/h1-3,7,12-13H,4-6H2/t7-/m0/s1.
What are the key properties of [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol?
[(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol has a molecular weight of 181.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-8-fluoro-1,2,3,4-tetrahydroquinolin-3-yl]methanol is sourced from PubChem (CID 42333638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).