2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C17H15F2NO — CID 105412079

IUPAC2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C17H15F2NO/c18-12-7-11(8-13(19)10-12)9-17(21)15-3-1-5-16-14(15)4-2-6-20-16/h1,3,5,7-8,10,20H,2,4,6,9H2
InChIKeyCCROCQVFPWKTDV-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.75
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 105412079) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID105412079
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C17H15F2NO/c18-12-7-11(8-13(19)10-12)9-17(21)15-3-1-5-16-14(15)4-2-6-20-16/h1,3,5,7-8,10,20H,2,4,6,9H2
InChIKeyCCROCQVFPWKTDV-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103042672
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610432
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103052466
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
2-(2-bromo-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610473
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 105412079) is 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1cccc2c1CCCN2.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is CCROCQVFPWKTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-12-7-11(8-13(19)10-12)9-17(21)15-3-1-5-16-14(15)4-2-6-20-16/h1,3,5,7-8,10,20H,2,4,6,9H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone has a molecular weight of 287.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 105412079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).