2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide

C9H15F3N2O2 — CID 89457900

IUPAC2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide
SMILESC[C@]1(NC(=O)C(F)(F)F)CCNCC[C@@H]1O
InChIInChI=1S/C9H15F3N2O2/c1-8(14-7(16)9(10,11)12)3-5-13-4-2-6(8)15/h6,13,15H,2-5H2,1H3,(H,14,16)/t6-,8-/m0/s1
InChIKeyGJKHVJFLPGWBDO-XPUUQOCRSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds1

About 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide

2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide (PubChem CID 89457900) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide
PubChem CID89457900
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide
SMILESC[C@]1(NC(=O)C(F)(F)F)CCNCC[C@@H]1O
InChIInChI=1S/C9H15F3N2O2/c1-8(14-7(16)9(10,11)12)3-5-13-4-2-6(8)15/h6,13,15H,2-5H2,1H3,(H,14,16)/t6-,8-/m0/s1
InChIKeyGJKHVJFLPGWBDO-XPUUQOCRSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide (CID 89457900) is 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide is C[C@]1(NC(=O)C(F)(F)F)CCNCC[C@@H]1O.
What is the InChIKey of 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide?
The InChIKey is GJKHVJFLPGWBDO-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(14-7(16)9(10,11)12)3-5-13-4-2-6(8)15/h6,13,15H,2-5H2,1H3,(H,14,16)/t6-,8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide?
2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide is sourced from PubChem (CID 89457900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).