1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone

C19H20FNO2 — CID 68924801

IUPAC1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1
InChIInChI=1S/C19H20FNO2/c1-13(22)14-2-4-15(5-3-14)19-7-6-17(20)10-16(19)12-23-18-8-9-21-11-18/h2-7,10,18,21H,8-9,11-12H2,1H3/t18-/m0/s1
InChIKeyWRDTZAZLCRNNAF-SFHVURJKSA-N
MW313.37 g/mol
LogP3.57
Rot. Bonds5

About 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone

1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone (PubChem CID 68924801) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone
PubChem CID68924801
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1
InChIInChI=1S/C19H20FNO2/c1-13(22)14-2-4-15(5-3-14)19-7-6-17(20)10-16(19)12-23-18-8-9-21-11-18/h2-7,10,18,21H,8-9,11-12H2,1H3/t18-/m0/s1
InChIKeyWRDTZAZLCRNNAF-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone (CID 68924801) is 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1.
What is the InChIKey of 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone?
The InChIKey is WRDTZAZLCRNNAF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(22)14-2-4-15(5-3-14)19-7-6-17(20)10-16(19)12-23-18-8-9-21-11-18/h2-7,10,18,21H,8-9,11-12H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone?
1-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]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-[4-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 68924801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).