2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

C18H16ClFO — CID 103047992

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)C1CCCc2ccccc21
InChIInChI=1S/C18H16ClFO/c19-14-8-9-17(20)13(10-14)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-10,16H,3,5,7,11H2
InChIKeyIPHRKUFGEYHBGB-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.71
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 103047992) has the molecular formula C18H16ClFO and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
PubChem CID103047992
Molecular FormulaC18H16ClFO
Molecular Weight302.78 g/mol
Exact Mass302.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)C1CCCc2ccccc21
InChIInChI=1S/C18H16ClFO/c19-14-8-9-17(20)13(10-14)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-10,16H,3,5,7,11H2
InChIKeyIPHRKUFGEYHBGB-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
CID 65321557
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
2-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 105135677
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 82796890
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-3-yn-1-one
CID 63247450
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (CID 103047992) is 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is O=C(Cc1cc(Cl)ccc1F)C1CCCc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is IPHRKUFGEYHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFO/c19-14-8-9-17(20)13(10-14)11-18(21)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-10,16H,3,5,7,11H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 302.78 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 103047992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).