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

C11H12F3NO — CID 105488978

IUPAC[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESOCC1CCc2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-7-4-5-8(6-16)15-10(7)9/h1-3,8,15-16H,4-6H2
InChIKeyPPPFSDZBJMRUFU-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.42
Rot. Bonds1

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

[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol (PubChem CID 105488978) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol.

Molecular Properties

Compound Name[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol
PubChem CID105488978
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESOCC1CCc2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-7-4-5-8(6-16)15-10(7)9/h1-3,8,15-16H,4-6H2
InChIKeyPPPFSDZBJMRUFU-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 83880243
2-cyclopentyl-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4019541
2-(4-ethylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3578191
[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol
CID 117168237
9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 83672503
7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one
CID 23157046
2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84635560
2-ethyl-7-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193365
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386426

Frequently Asked Questions

What is the IUPAC name of [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The IUPAC name of [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol (CID 105488978) is [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol.
What is the SMILES notation for [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The canonical SMILES for [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol is OCC1CCc2cccc(C(F)(F)F)c2N1.
What is the InChIKey of [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The InChIKey is PPPFSDZBJMRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-7-4-5-8(6-16)15-10(7)9/h1-3,8,15-16H,4-6H2.
What are the key properties of [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol has a molecular weight of 231.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methanol is sourced from PubChem (CID 105488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).