2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

C22H24F3NO — CID 162549726

IUPAC2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCC(C)(CC(O)(CC1=CCNc2ccccc21)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H24F3NO/c1-20(2,17-8-4-3-5-9-17)15-21(27,22(23,24)25)14-16-12-13-26-19-11-7-6-10-18(16)19/h3-12,26-27H,13-15H2,1-2H3
InChIKeyXXLVGWLQRYKMIH-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.55
Rot. Bonds5

About 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (PubChem CID 162549726) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
PubChem CID162549726
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCC(C)(CC(O)(CC1=CCNc2ccccc21)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H24F3NO/c1-20(2,17-8-4-3-5-9-17)15-21(27,22(23,24)25)14-16-12-13-26-19-11-7-6-10-18(16)19/h3-12,26-27H,13-15H2,1-2H3
InChIKeyXXLVGWLQRYKMIH-UHFFFAOYSA-N
XLogP5.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-4-methyl-4-phenyl-2-[(3-phenyl-2,7-dihydro-1H-pyrrolo[2,3-c]pyridazin-6-yl)methyl]pentan-2-ol
CID 143024718
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 117062220
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 22398523
1-(3-amino-4-pyridinyl)-6-methyl-6-phenyl-4-(trifluoromethyl)hept-1-yn-4-ol
CID 46939400
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
CID 158792811
CID 158792811
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
CID 10237128
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
2-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-3-carbonitrile
CID 22398514
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (CID 162549726) is 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is CC(C)(CC(O)(CC1=CCNc2ccccc21)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The InChIKey is XXLVGWLQRYKMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO/c1-20(2,17-8-4-3-5-9-17)15-21(27,22(23,24)25)14-16-12-13-26-19-11-7-6-10-18(16)19/h3-12,26-27H,13-15H2,1-2H3.
What are the key properties of 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol has a molecular weight of 375.43 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 162549726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).