3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one

C11H18F3NO — CID 118444478

IUPAC3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@]1(C)CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-8(2)10(3)4-5-15(7-10)9(16)6-11(12,13)14/h8H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyLSEIXWAOGGBDSN-SNVBAGLBSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds2

About 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 118444478) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID118444478
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@]1(C)CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-8(2)10(3)4-5-15(7-10)9(16)6-11(12,13)14/h8H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyLSEIXWAOGGBDSN-SNVBAGLBSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one (CID 118444478) is 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one is CC(C)[C@]1(C)CCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is LSEIXWAOGGBDSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8(2)10(3)4-5-15(7-10)9(16)6-11(12,13)14/h8H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118444478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).