[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone

C22H23F2NO — CID 170294368

IUPAC[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)C(C(=O)N2CCCC2)C1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H23F2NO/c1-22(2)19(20(22)21(26)25-12-5-6-13-25)15-9-4-3-8-14(15)18-16(23)10-7-11-17(18)24/h3-4,7-11,19-20H,5-6,12-13H2,1-2H3
InChIKeyOEFDKVCYVZGTHS-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.99
Rot. Bonds3

About [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone

[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 170294368) has the molecular formula C22H23F2NO and a molecular weight of 355.43 g/mol. Its IUPAC name is [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID170294368
Molecular FormulaC22H23F2NO
Molecular Weight355.43 g/mol
Exact Mass355.17
IUPAC Name[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)C(C(=O)N2CCCC2)C1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C22H23F2NO/c1-22(2)19(20(22)21(26)25-12-5-6-13-25)15-9-4-3-8-14(15)18-16(23)10-7-11-17(18)24/h3-4,7-11,19-20H,5-6,12-13H2,1-2H3
InChIKeyOEFDKVCYVZGTHS-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Spiro-carboxamide scaffold, 13
CID 44143299
1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10205387
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
N,N-diethyl-2,2-diphenylacetamide
CID 229107
Spiro-carboxamide scaffold, 7
CID 44143293
Spiro-carboxamide scaffold, 12
CID 44143298
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
Spiro-carboxamide scaffold, 8
CID 44143294
3-(4-Cyclohexylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 155544705

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone (CID 170294368) is [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone is CC1(C)C(C(=O)N2CCCC2)C1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OEFDKVCYVZGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO/c1-22(2)19(20(22)21(26)25-12-5-6-13-25)15-9-4-3-8-14(15)18-16(23)10-7-11-17(18)24/h3-4,7-11,19-20H,5-6,12-13H2,1-2H3.
What are the key properties of [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone?
[3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,6-difluorophenyl)phenyl]-2,2-dimethylcyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170294368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).