1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

C17H16F3NO — CID 170429252

IUPAC1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2ccccc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-6-7-15-14(10-13)16(22)8-9-21(15)11-12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2
InChIKeyOSNITKYVCBRGEN-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.15
Rot. Bonds2

About 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 170429252) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID170429252
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2ccccc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-6-7-15-14(10-13)16(22)8-9-21(15)11-12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2
InChIKeyOSNITKYVCBRGEN-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 170429252) is 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is OC1CCN(Cc2ccccc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is OSNITKYVCBRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)13-6-7-15-14(10-13)16(22)8-9-21(15)11-12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2.
What are the key properties of 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 307.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 170429252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).