2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

C17H15F2NO — CID 114935348

IUPAC2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15F2NO/c18-14-4-1-5-15(19)13(14)10-17(21)12-6-7-16-11(9-12)3-2-8-20-16/h1,4-7,9,20H,2-3,8,10H2
InChIKeyVTWFPVMTAJLXQQ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.75
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 114935348) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID114935348
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15F2NO/c18-14-4-1-5-15(19)13(14)10-17(21)12-6-7-16-11(9-12)3-2-8-20-16/h1,4-7,9,20H,2-3,8,10H2
InChIKeyVTWFPVMTAJLXQQ-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

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
CID 116554091
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 114935348) is 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is O=C(Cc1c(F)cccc1F)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is VTWFPVMTAJLXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-14-4-1-5-15(19)13(14)10-17(21)12-6-7-16-11(9-12)3-2-8-20-16/h1,4-7,9,20H,2-3,8,10H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-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-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 114935348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).