5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone

C16H12F3NO — CID 79732335

IUPAC5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CCCc2cccnc21
InChIInChI=1S/C16H12F3NO/c17-12-7-10(8-13(18)14(12)19)16(21)11-5-1-3-9-4-2-6-20-15(9)11/h2,4,6-8,11H,1,3,5H2
InChIKeyGYYYWASQZHVTTJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.80
Rot. Bonds2

About 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone

5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone (PubChem CID 79732335) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
PubChem CID79732335
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CCCc2cccnc21
InChIInChI=1S/C16H12F3NO/c17-12-7-10(8-13(18)14(12)19)16(21)11-5-1-3-9-4-2-6-20-15(9)11/h2,4,6-8,11H,1,3,5H2
InChIKeyGYYYWASQZHVTTJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone (CID 79732335) is 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)C1CCCc2cccnc21.
What is the InChIKey of 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone?
The InChIKey is GYYYWASQZHVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-12-7-10(8-13(18)14(12)19)16(21)11-5-1-3-9-4-2-6-20-15(9)11/h2,4,6-8,11H,1,3,5H2.
What are the key properties of 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone?
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone has a molecular weight of 291.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 79732335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).