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

C16H13F2NO — CID 116554328

IUPAC(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1cccc(F)c1F
InChIInChI=1S/C16H13F2NO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1,4-7,9,19H,2-3,8H2
InChIKeyKXUHNPXEKZOTBX-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.55
Rot. Bonds2

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

(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 116554328) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID116554328
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)c1cccc(F)c1F
InChIInChI=1S/C16H13F2NO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1,4-7,9,19H,2-3,8H2
InChIKeyKXUHNPXEKZOTBX-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroquinolin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 116554439
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 116554328) is (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is O=C(c1ccc2c(c1)CCCN2)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is KXUHNPXEKZOTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-5-1-4-12(15(13)18)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1,4-7,9,19H,2-3,8H2.
What are the key properties of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 116554328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).