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

C16H14FNO — CID 116598164

IUPAC(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCNc2ccccc21
InChIInChI=1S/C16H14FNO/c17-12-7-5-11(6-8-12)16(19)14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,18H,9-10H2
InChIKeyJWFGEBPPVPMEOQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.61
Rot. Bonds2

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

(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598164) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598164
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCNc2ccccc21
InChIInChI=1S/C16H14FNO/c17-12-7-5-11(6-8-12)16(19)14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,18H,9-10H2
InChIKeyJWFGEBPPVPMEOQ-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598128
(3-bromo-2,6-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 106944119
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
pyrazin-2-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598228
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
CID 116594740
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598150

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598164) is (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is O=C(c1ccc(F)cc1)C1CCNc2ccccc21.
What is the InChIKey of (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is JWFGEBPPVPMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-12-7-5-11(6-8-12)16(19)14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,18H,9-10H2.
What are the key properties of (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).