(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone

C15H20FNO — CID 164984129

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C15H20FNO/c1-11(2)12-6-4-5-7-13(12)14(18)17-9-8-15(3,16)10-17/h4-7,11H,8-10H2,1-3H3
InChIKeyBPBWACTWJXFMMG-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.38
Rot. Bonds2

About (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone

(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone (PubChem CID 164984129) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
PubChem CID164984129
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C15H20FNO/c1-11(2)12-6-4-5-7-13(12)14(18)17-9-8-15(3,16)10-17/h4-7,11H,8-10H2,1-3H3
InChIKeyBPBWACTWJXFMMG-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
(3-amino-3-methylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 166240256
(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036846
(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 129470416
(4,4-difluoropiperidin-1-yl)-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 169452148
[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 157109144
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258547
(3-fluoro-3-methylpyrrolidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 162343103
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone (CID 164984129) is (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)N1CCC(C)(F)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone?
The InChIKey is BPBWACTWJXFMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(2)12-6-4-5-7-13(12)14(18)17-9-8-15(3,16)10-17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone has a molecular weight of 249.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 164984129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).