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

C16H23ClFNO — CID 103048276

IUPAC1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(Cl)ccc1F)N1CCCC1
InChIInChI=1S/C16H23ClFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyHORPOKRWGHZVMQ-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.65
Rot. Bonds5

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

1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 103048276) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID103048276
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1cc(Cl)ccc1F)N1CCCC1
InChIInChI=1S/C16H23ClFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyHORPOKRWGHZVMQ-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol (CID 103048276) is 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol is CCC(C)(C(O)Cc1cc(Cl)ccc1F)N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is HORPOKRWGHZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-16(2,19-8-4-5-9-19)15(20)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol?
1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 299.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 103048276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).