1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine

C16H23BrFN — CID 107592747

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
SMILESCCCC1(CCC)CN(c2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C16H23BrFN/c1-4-6-16(7-5-2)10-19(11-16)15-9-13(17)14(18)8-12(15)3/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPQFPSYOTJJGHKX-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.30
Rot. Bonds5

About 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine

1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine (PubChem CID 107592747) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
PubChem CID107592747
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
SMILESCCCC1(CCC)CN(c2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C16H23BrFN/c1-4-6-16(7-5-2)10-19(11-16)15-9-13(17)14(18)8-12(15)3/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPQFPSYOTJJGHKX-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dimethoxyazetidine
CID 107592763
2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
1-(5-bromo-4-fluoro-2-methylphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 107594261
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
CID 107592754
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
CID 107592775
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 107592731
5-(4-bromo-2-fluoro-5-methylphenyl)-5-azaspiro[2.3]hexane
CID 130562717
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine (CID 107592747) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine is CCCC1(CCC)CN(c2cc(Br)c(F)cc2C)C1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine?
The InChIKey is PQFPSYOTJJGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-4-6-16(7-5-2)10-19(11-16)15-9-13(17)14(18)8-12(15)3/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine?
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine has a molecular weight of 328.27 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine is sourced from PubChem (CID 107592747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).