(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

C17H15F2NO — CID 50747079

IUPAC(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C17H15F2NO/c18-13-6-3-5-12(11-13)16-9-4-10-20(16)17(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2
InChIKeyXOQNVDIEQPMVPE-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.94
Rot. Bonds2

About (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone

(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747079) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID50747079
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C17H15F2NO/c18-13-6-3-5-12(11-13)16-9-4-10-20(16)17(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2
InChIKeyXOQNVDIEQPMVPE-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
8-[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95339438
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
CID 125158443
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70712664
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 50747079) is (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC1c1cccc(F)c1.
What is the InChIKey of (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is XOQNVDIEQPMVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-13-6-3-5-12(11-13)16-9-4-10-20(16)17(21)14-7-1-2-8-15(14)19/h1-3,5-8,11,16H,4,9-10H2.
What are the key properties of (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone?
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).