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

C17H12F3NO — CID 18511481

IUPACphenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOC(c1ccccc1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)21-15)16(22)11-6-2-1-3-7-11/h1-10,16,22H
InChIKeyCCEVSDBDTAPCRQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.34
Rot. Bonds2

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

phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol (PubChem CID 18511481) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
PubChem CID18511481
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Namephenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOC(c1ccccc1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)21-15)16(22)11-6-2-1-3-7-11/h1-10,16,22H
InChIKeyCCEVSDBDTAPCRQ-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The IUPAC name of phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol (CID 18511481) is phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol.
What is the SMILES notation for phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The canonical SMILES for phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol is OC(c1ccccc1)c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The InChIKey is CCEVSDBDTAPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)21-15)16(22)11-6-2-1-3-7-11/h1-10,16,22H.
What are the key properties of phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol has a molecular weight of 303.28 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol is sourced from PubChem (CID 18511481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).