(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C13H16FNO2 — CID 103820490

IUPAC(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C13H16FNO2/c1-9-7-10(14)3-4-11(9)12(16)15-6-5-13(2,17)8-15/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyTWHHRCUFOKQYQF-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.73
Rot. Bonds1

About (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103820490) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103820490
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C13H16FNO2/c1-9-7-10(14)3-4-11(9)12(16)15-6-5-13(2,17)8-15/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyTWHHRCUFOKQYQF-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
3-amino-1-(4-fluoro-2-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323009
(5-fluoro-2-nitrophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745577
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103820490) is (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is Cc1cc(F)ccc1C(=O)N1CCC(C)(O)C1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is TWHHRCUFOKQYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-10(14)3-4-11(9)12(16)15-6-5-13(2,17)8-15/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).