3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide

C11H19F3N2O2 — CID 136582708

IUPAC3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-4-10(18)5-16(6-10)9(17)15-8(7(2)3)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H,15,17)/t8-/m0/s1
InChIKeyULKMJAWQNDQJAB-QMMMGPOBSA-N
MW268.28 g/mol
LogP1.74
Rot. Bonds3

About 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide

3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 136582708) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID136582708
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCCC1(O)CN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-4-10(18)5-16(6-10)9(17)15-8(7(2)3)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H,15,17)/t8-/m0/s1
InChIKeyULKMJAWQNDQJAB-QMMMGPOBSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 136582708) is 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide is CCC1(O)CN(C(=O)N[C@@H](C(C)C)C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is ULKMJAWQNDQJAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-4-10(18)5-16(6-10)9(17)15-8(7(2)3)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide?
3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 136582708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).