1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone

C19H20FNO2 — CID 68927718

IUPAC1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)cc2COC2CCNC2)c1
InChIInChI=1S/C19H20FNO2/c1-13(22)14-3-2-4-15(9-14)19-6-5-17(20)10-16(19)12-23-18-7-8-21-11-18/h2-6,9-10,18,21H,7-8,11-12H2,1H3
InChIKeySKXATPBHEMVDSG-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone

1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone (PubChem CID 68927718) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
PubChem CID68927718
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)cc2COC2CCNC2)c1
InChIInChI=1S/C19H20FNO2/c1-13(22)14-3-2-4-15(9-14)19-6-5-17(20)10-16(19)12-23-18-7-8-21-11-18/h2-6,9-10,18,21H,7-8,11-12H2,1H3
InChIKeySKXATPBHEMVDSG-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benfluorex
CID 2318
Benfluorex, (S)-
CID 6604374
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-fluorobenzoate
CID 52719
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]p-fluorobenzamide
CID 97417642
Benfluorex, (R)-
CID 6999036
2-[[2-Methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl benzoate
CID 11726450
(3S)-3-[[2-(2,3-difluorophenyl)phenyl]methoxy]pyrrolidine
CID 16004739
(3S)-3-[[2-(2,4-difluorophenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 16116829
(3S)-3-[[2-(2,3-difluorophenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 16116830
(3S)-3-[[5-fluoro-2-(2-fluorophenyl)phenyl]methoxy]pyrrolidine
CID 16116831
(3S)-3-[[2-(3,4-difluorophenyl)phenyl]methoxy]pyrrolidine
CID 16116833
(3S)-3-[[2-(4-fluorophenyl)phenyl]methoxy]pyrrolidine
CID 16116957

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone (CID 68927718) is 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc(F)cc2COC2CCNC2)c1.
What is the InChIKey of 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
The InChIKey is SKXATPBHEMVDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(22)14-3-2-4-15(9-14)19-6-5-17(20)10-16(19)12-23-18-7-8-21-11-18/h2-6,9-10,18,21H,7-8,11-12H2,1H3.
What are the key properties of 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone?
1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 68927718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).