2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride

C12H14FNO2 — CID 89077825

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
SMILESO=C(F)C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H14FNO2/c13-12(16)11(9-4-2-1-3-5-9)14-7-6-10(15)8-14/h1-5,10-11,15H,6-8H2/t10-,11?/m0/s1
InChIKeyZWSYBAILSXEPKU-VUWPPUDQSA-N
MW223.25 g/mol
LogP1.29
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride

2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride (PubChem CID 89077825) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
PubChem CID89077825
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
SMILESO=C(F)C(c1ccccc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H14FNO2/c13-12(16)11(9-4-2-1-3-5-9)14-7-6-10(15)8-14/h1-5,10-11,15H,6-8H2/t10-,11?/m0/s1
InChIKeyZWSYBAILSXEPKU-VUWPPUDQSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylbutan-2-one
CID 163432862
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
(1S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenylbutan-2-one
CID 67725215
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 111332556

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride (CID 89077825) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride is O=C(F)C(c1ccccc1)N1CC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride?
The InChIKey is ZWSYBAILSXEPKU-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-12(16)11(9-4-2-1-3-5-9)14-7-6-10(15)8-14/h1-5,10-11,15H,6-8H2/t10-,11?/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride has a molecular weight of 223.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride is sourced from PubChem (CID 89077825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).