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

C11H8F3NO — CID 18379212

IUPAC[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOCc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-5,16H,6H2
InChIKeyBUDRHPWUUSCWLP-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.75
Rot. Bonds1

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

[2-(trifluoromethyl)quinolin-4-yl]methanol (PubChem CID 18379212) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is [2-(trifluoromethyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)quinolin-4-yl]methanol
PubChem CID18379212
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOCc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-5,16H,6H2
InChIKeyBUDRHPWUUSCWLP-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.75
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?
The IUPAC name of [2-(trifluoromethyl)quinolin-4-yl]methanol (CID 18379212) is [2-(trifluoromethyl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)quinolin-4-yl]methanol is OCc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of [2-(trifluoromethyl)quinolin-4-yl]methanol?
The InChIKey is BUDRHPWUUSCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)10-5-7(6-16)8-3-1-2-4-9(8)15-10/h1-5,16H,6H2.
What are the key properties of [2-(trifluoromethyl)quinolin-4-yl]methanol?
[2-(trifluoromethyl)quinolin-4-yl]methanol has a molecular weight of 227.19 g/mol, XLogP of 2.75, 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 is sourced from PubChem (CID 18379212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).