(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 164638908

IUPAC(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CC(=O)N1CC[C@](C)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-10(2,12(13,14)15)6-8(18)17-5-4-11(3,7-17)9(16)19/h4-7H2,1-3H3,(H2,16,19)/t11-/m0/s1
InChIKeyYQZWRDHGJYJRIJ-NSHDSACASA-N
MW280.29 g/mol
LogP1.69
Rot. Bonds3

About (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide

(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide (PubChem CID 164638908) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
PubChem CID164638908
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CC(=O)N1CC[C@](C)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-10(2,12(13,14)15)6-8(18)17-5-4-11(3,7-17)9(16)19/h4-7H2,1-3H3,(H2,16,19)/t11-/m0/s1
InChIKeyYQZWRDHGJYJRIJ-NSHDSACASA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide (CID 164638908) is (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide is CC(C)(CC(=O)N1CC[C@](C)(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide?
The InChIKey is YQZWRDHGJYJRIJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-10(2,12(13,14)15)6-8(18)17-5-4-11(3,7-17)9(16)19/h4-7H2,1-3H3,(H2,16,19)/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide?
(3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4,4,4-trifluoro-3,3-dimethylbutanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).