2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide

C15H24F6N2O — CID 174163940

IUPAC2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide
SMILESCC(C)N1CCC[C@H]1CC(=O)NCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6N2O/c1-10(2)23-8-4-5-11(23)9-12(24)22-7-6-13(3,14(16,17)18)15(19,20)21/h10-11H,4-9H2,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyDJXDZYBFVWNQFW-NSHDSACASA-N
MW362.36 g/mol
LogP3.89
Rot. Bonds6

About 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide

2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide (PubChem CID 174163940) has the molecular formula C15H24F6N2O and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide
PubChem CID174163940
Molecular FormulaC15H24F6N2O
Molecular Weight362.36 g/mol
Exact Mass362.18
IUPAC Name2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide
SMILESCC(C)N1CCC[C@H]1CC(=O)NCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6N2O/c1-10(2)23-8-4-5-11(23)9-12(24)22-7-6-13(3,14(16,17)18)15(19,20)21/h10-11H,4-9H2,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyDJXDZYBFVWNQFW-NSHDSACASA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266941
2-(2-isocyanatoprop-2-enyl)-1-propan-2-ylpyrrolidine
CID 117267183
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366373
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
N-(2-aminopropyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110834402
(E)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pent-3-en-2-one
CID 170366422

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide?
The IUPAC name of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide (CID 174163940) is 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide?
The canonical SMILES for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide is CC(C)N1CCC[C@H]1CC(=O)NCCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide?
The InChIKey is DJXDZYBFVWNQFW-NSHDSACASA-N. The full InChI is InChI=1S/C15H24F6N2O/c1-10(2)23-8-4-5-11(23)9-12(24)22-7-6-13(3,14(16,17)18)15(19,20)21/h10-11H,4-9H2,1-3H3,(H,22,24)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide?
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide has a molecular weight of 362.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-methyl-3-(trifluoromethyl)butyl]acetamide is sourced from PubChem (CID 174163940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).