[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride

C11H9ClF3NO — CID 68651583

IUPAC[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride
SMILESCl.OCc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C11H8F3NO.ClH/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10;/h1-5,16H,6H2;1H
InChIKeyPCSUEZZVJSFJOC-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.17
Rot. Bonds1

About [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride

[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride (PubChem CID 68651583) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride
PubChem CID68651583
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride
SMILESCl.OCc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C11H8F3NO.ClH/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10;/h1-5,16H,6H2;1H
InChIKeyPCSUEZZVJSFJOC-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride (CID 68651583) is [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride is Cl.OCc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride?
The InChIKey is PCSUEZZVJSFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO.ClH/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10;/h1-5,16H,6H2;1H.
What are the key properties of [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride?
[2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride has a molecular weight of 263.65 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)quinolin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 68651583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).