1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone

C12H14FNO — CID 96581833

IUPAC1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChIKeyWKHFPFSWNGZMIV-NSHDSACASA-N
MW207.25 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 96581833) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID96581833
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(C[C@@H]1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChIKeyWKHFPFSWNGZMIV-NSHDSACASA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
cesium;carbanide;1-(3-chloro-5-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 176947510
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-ylethanone
CID 79536264
1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
CID 105497824
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone (CID 96581833) is 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone is O=C(C[C@@H]1CCCN1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is WKHFPFSWNGZMIV-NSHDSACASA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 96581833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).