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

C16H13F2NO — CID 116598128

IUPAC(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)C1CCNc2ccccc21
InChIInChI=1S/C16H13F2NO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-7,11,19H,8-9H2
InChIKeyWZPSRDJKHFDUPH-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.75
Rot. Bonds2

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

(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598128) 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-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598128
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1cccc(F)c1F)C1CCNc2ccccc21
InChIInChI=1S/C16H13F2NO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-7,11,19H,8-9H2
InChIKeyWZPSRDJKHFDUPH-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
(3-bromo-2,6-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 106944119
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598228
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 57287537
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 106644792
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598128) is (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is O=C(c1cccc(F)c1F)C1CCNc2ccccc21.
What is the InChIKey of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is WZPSRDJKHFDUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-6-3-5-12(15(13)18)16(20)11-8-9-19-14-7-2-1-4-10(11)14/h1-7,11,19H,8-9H2.
What are the key properties of (2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 3.75, 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-4-yl)methanone is sourced from PubChem (CID 116598128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).