2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide

C10H10F6N2O2 — CID 11001186

IUPAC2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide
SMILESO=C(N[C@H]1CC=CC[C@H]1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6(5)18-8(20)10(14,15)16/h1-2,5-6H,3-4H2,(H,17,19)(H,18,20)/t5-,6+
InChIKeyFRMLBZALLHNKDU-OLQVQODUSA-N
MW304.19 g/mol
LogP1.43
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide

2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide (PubChem CID 11001186) has the molecular formula C10H10F6N2O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide
PubChem CID11001186
Molecular FormulaC10H10F6N2O2
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC Name2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide
SMILESO=C(N[C@H]1CC=CC[C@H]1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6(5)18-8(20)10(14,15)16/h1-2,5-6H,3-4H2,(H,17,19)(H,18,20)/t5-,6+
InChIKeyFRMLBZALLHNKDU-OLQVQODUSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide (CID 11001186) is 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide is O=C(N[C@H]1CC=CC[C@H]1NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide?
The InChIKey is FRMLBZALLHNKDU-OLQVQODUSA-N. The full InChI is InChI=1S/C10H10F6N2O2/c11-9(12,13)7(19)17-5-3-1-2-4-6(5)18-8(20)10(14,15)16/h1-2,5-6H,3-4H2,(H,17,19)(H,18,20)/t5-,6+.
What are the key properties of 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide?
2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide has a molecular weight of 304.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R,6S)-6-[(2,2,2-trifluoroacetyl)amino]cyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 11001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).