1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol

C16H23BrFNO — CID 79069489

IUPAC1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(F)ccc1Br)N1CCCC1
InChIInChI=1S/C16H23BrFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyUMFYERPWWMSPAN-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol

1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 79069489) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID79069489
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(F)ccc1Br)N1CCCC1
InChIInChI=1S/C16H23BrFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyUMFYERPWWMSPAN-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105377856
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241193
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633
1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064990
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol (CID 79069489) is 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol is CCC(C)(C(O)Cc1cc(F)ccc1Br)N1CCCC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is UMFYERPWWMSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(18)6-7-14(12)17/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 344.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 79069489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).