1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone

C13H15ClFNO — CID 83988410

IUPAC1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCC2)c(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-9-6-10(12(15)7-11(9)14)13(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyGYUXVUUOIHHRSY-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone

1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 83988410) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID83988410
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCc1cc(C(=O)CN2CCCC2)c(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-9-6-10(12(15)7-11(9)14)13(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyGYUXVUUOIHHRSY-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone (CID 83988410) is 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone is Cc1cc(C(=O)CN2CCCC2)c(F)cc1Cl.
What is the InChIKey of 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is GYUXVUUOIHHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-9-6-10(12(15)7-11(9)14)13(17)8-16-4-2-3-5-16/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone?
1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 255.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoro-5-methylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 83988410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).