1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one

C22H23F2NO2 — CID 12003680

IUPAC1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22+/m1/s1
InChIKeyVKPGWWCOPKCOFG-YADHBBJMSA-N
MW371.43 g/mol
LogP4.80
Rot. Bonds7

About 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one

1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 12003680) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID12003680
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@H](c1ccc(F)cc1)[C@@H](OCC1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22+/m1/s1
InChIKeyVKPGWWCOPKCOFG-YADHBBJMSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 12003680) is 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one is O=C1CCCN1[C@H](c1ccc(F)cc1)[C@@H](OCC1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is VKPGWWCOPKCOFG-YADHBBJMSA-N. The full InChI is InChI=1S/C22H23F2NO2/c23-18-9-5-16(6-10-18)21(25-13-1-2-20(25)26)22(27-14-15-3-4-15)17-7-11-19(24)12-8-17/h5-12,15,21-22H,1-4,13-14H2/t21-,22+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one?
1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 371.43 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(cyclopropylmethoxy)-1,2-bis(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 12003680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).