1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one

C15H11BrClFO — CID 61496199

IUPAC1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFO/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7H,8-9H2
InChIKeyXIDFDNOZSRDKMG-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one

1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one (PubChem CID 61496199) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
PubChem CID61496199
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFO/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7H,8-9H2
InChIKeyXIDFDNOZSRDKMG-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
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1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
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CID 63411519
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
4-(4-aminophenyl)-1-(2-chloro-6-fluorophenyl)butan-2-one
CID 116605403
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
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N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
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1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one (CID 61496199) is 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one is O=C(Cc1ccc(Br)cc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
The InChIKey is XIDFDNOZSRDKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7H,8-9H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one?
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one has a molecular weight of 341.61 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one is sourced from PubChem (CID 61496199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).