(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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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).