(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one

C8H12F3NO — CID 134506737

IUPAC(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CC[C@H]1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(2)12-6(8(9,10)11)3-4-7(12)13/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyUJAJNKYXSPPMAI-LURJTMIESA-N
MW195.18 g/mol
LogP1.95
Rot. Bonds1

About (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one

(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 134506737) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID134506737
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CC[C@H]1C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(2)12-6(8(9,10)11)3-4-7(12)13/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyUJAJNKYXSPPMAI-LURJTMIESA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one (CID 134506737) is (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one is CC(C)N1C(=O)CC[C@H]1C(F)(F)F.
What is the InChIKey of (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UJAJNKYXSPPMAI-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(2)12-6(8(9,10)11)3-4-7(12)13/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one?
(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 195.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 134506737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).