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

C11H12F3NO — CID 22735329

IUPAC[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
SMILESOCC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(6-16)3-4-15-10/h1-2,5,7,15-16H,3-4,6H2
InChIKeyDXLBDIMUNLQHFW-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds1

About [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol

[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol (PubChem CID 22735329) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol.

Molecular Properties

Compound Name[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
PubChem CID22735329
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
SMILESOCC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(6-16)3-4-15-10/h1-2,5,7,15-16H,3-4,6H2
InChIKeyDXLBDIMUNLQHFW-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol?
The IUPAC name of [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol (CID 22735329) is [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol.
What is the SMILES notation for [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol?
The canonical SMILES for [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol is OCC1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol?
The InChIKey is DXLBDIMUNLQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)8-1-2-10-9(5-8)7(6-16)3-4-15-10/h1-2,5,7,15-16H,3-4,6H2.
What are the key properties of [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol?
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol has a molecular weight of 231.22 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol is sourced from PubChem (CID 22735329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).