1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone

C12H14FNO2 — CID 43794373

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO2/c13-9-3-4-11(15)10(7-9)12(16)8-14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2
InChIKeyNEEYDDLLQDWXAA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.81
Rot. Bonds3

About 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 43794373) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID43794373
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO2/c13-9-3-4-11(15)10(7-9)12(16)8-14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2
InChIKeyNEEYDDLLQDWXAA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone (CID 43794373) is 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is NEEYDDLLQDWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-3-4-11(15)10(7-9)12(16)8-14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 223.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43794373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).