2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone

C16H19ClFNO2 — CID 121197501

IUPAC2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H19ClFNO2/c17-14-2-1-3-15(18)13(14)8-16(20)19-7-6-12(9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2
InChIKeyVJWYZSLMKPEJAC-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone (PubChem CID 121197501) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone
PubChem CID121197501
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H19ClFNO2/c17-14-2-1-3-15(18)13(14)8-16(20)19-7-6-12(9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2
InChIKeyVJWYZSLMKPEJAC-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone (CID 121197501) is 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCC(OCC2CC2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is VJWYZSLMKPEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c17-14-2-1-3-15(18)13(14)8-16(20)19-7-6-12(9-19)21-10-11-4-5-11/h1-3,11-12H,4-10H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 311.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121197501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).