1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one

C16H23BrFNO — CID 79063310

IUPAC1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3
InChIKeyVHCROXHKMHILEV-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.21
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one

1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one (PubChem CID 79063310) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
PubChem CID79063310
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
SMILESCCN(CC)C(C)(CC)C(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3
InChIKeyVHCROXHKMHILEV-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 79060051
3-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 146134894
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063919
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774
1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045725
1-(5-bromo-2-fluorophenyl)-3-tert-butylsulfanylpropan-2-one
CID 65133139
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002590
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62820301
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one (CID 79063310) is 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one is CCN(CC)C(C)(CC)C(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
The InChIKey is VHCROXHKMHILEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-5-16(4,19(6-2)7-3)15(20)11-12-10-13(17)8-9-14(12)18/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one?
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one has a molecular weight of 344.27 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one is sourced from PubChem (CID 79063310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).