1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one

C11H12FNO2 — CID 70109836

IUPAC1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1COc1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-4-10(7-9)15-8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyBBSOXVCBKOXZJH-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.78
Rot. Bonds3

About 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one

1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one (PubChem CID 70109836) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one
PubChem CID70109836
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1COc1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-4-10(7-9)15-8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyBBSOXVCBKOXZJH-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722805
1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 70712117
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 94697860
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one (CID 70109836) is 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one is O=C1CCCN1COc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one?
The InChIKey is BBSOXVCBKOXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-4-10(7-9)15-8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one?
1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one is sourced from PubChem (CID 70109836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).