2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone

C23H19F2NO — CID 101474371

IUPAC2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
SMILESO=C(c1ccccc1)C(F)(F)C1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C23H19F2NO/c24-23(25,22(27)18-10-3-1-4-11-18)21-20-14-8-7-9-17(20)15-16-26(21)19-12-5-2-6-13-19/h1-14,21H,15-16H2
InChIKeyOADXSTIJFVNLFH-UHFFFAOYSA-N
MW363.41 g/mol
LogP5.31
Rot. Bonds4

About 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone

2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone (PubChem CID 101474371) has the molecular formula C23H19F2NO and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
PubChem CID101474371
Molecular FormulaC23H19F2NO
Molecular Weight363.41 g/mol
Exact Mass363.14
IUPAC Name2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
SMILESO=C(c1ccccc1)C(F)(F)C1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C23H19F2NO/c24-23(25,22(27)18-10-3-1-4-11-18)21-20-14-8-7-9-17(20)15-16-26(21)19-12-5-2-6-13-19/h1-14,21H,15-16H2
InChIKeyOADXSTIJFVNLFH-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 162415451
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-isoquinoline
CID 102418039
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone
CID 156695088
S-tert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanethioate
CID 135000085
dimethyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate
CID 11186826
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 92953927
1-[2-(4-chlorophenoxy)propan-2-yl]-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 162415445
[(1R)-1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
CID 92762278

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone (CID 101474371) is 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone is O=C(c1ccccc1)C(F)(F)C1c2ccccc2CCN1c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
The InChIKey is OADXSTIJFVNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO/c24-23(25,22(27)18-10-3-1-4-11-18)21-20-14-8-7-9-17(20)15-16-26(21)19-12-5-2-6-13-19/h1-14,21H,15-16H2.
What are the key properties of 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone?
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone has a molecular weight of 363.41 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone is sourced from PubChem (CID 101474371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).