2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone

C16H15ClFNO2 — CID 51550766

IUPAC2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C16H15ClFNO2/c17-12-4-1-5-13(18)11(12)10-16(20)19-8-2-6-14(19)15-7-3-9-21-15/h1,3-5,7,9,14H,2,6,8,10H2/t14-/m0/s1
InChIKeyAMLXVNIRZUBDGE-AWEZNQCLSA-N
MW307.75 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 51550766) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID51550766
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C16H15ClFNO2/c17-12-4-1-5-13(18)11(12)10-16(20)19-8-2-6-14(19)15-7-3-9-21-15/h1,3-5,7,9,14H,2,6,8,10H2/t14-/m0/s1
InChIKeyAMLXVNIRZUBDGE-AWEZNQCLSA-N
XLogP3.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 42942672
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanone
CID 92877716
2-(2-chloro-6-fluorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61411008
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 25377292
2-(2-chloro-6-fluorophenyl)-1-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]ethanone
CID 128965093
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129349691
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 129492142
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone (CID 51550766) is 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1ccco1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is AMLXVNIRZUBDGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-12-4-1-5-13(18)11(12)10-16(20)19-8-2-6-14(19)15-7-3-9-21-15/h1,3-5,7,9,14H,2,6,8,10H2/t14-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 307.75 g/mol, XLogP of 3.98, 3 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-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 51550766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).