(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one

C7H11F2NO — CID 167119865

IUPAC(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C7H11F2NO/c1-4(2)5-3-7(8,9)6(11)10-5/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyKVNJSPXAKSZWQO-YFKPBYRVSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds1

About (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one

(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one (PubChem CID 167119865) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
PubChem CID167119865
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C7H11F2NO/c1-4(2)5-3-7(8,9)6(11)10-5/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyKVNJSPXAKSZWQO-YFKPBYRVSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one (CID 167119865) is (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1CC(F)(F)C(=O)N1.
What is the InChIKey of (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is KVNJSPXAKSZWQO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-4(2)5-3-7(8,9)6(11)10-5/h4-5H,3H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one?
(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 163.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 167119865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).