N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

C10H15F3N2O — CID 78995543

IUPACN-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-14-6-9(16)15-8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,15,16)
InChIKeyJZXZOUBPDXZJKI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds4

About N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78995543) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78995543
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-14-6-9(16)15-8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,15,16)
InChIKeyJZXZOUBPDXZJKI-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
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 N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78995543) is N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JZXZOUBPDXZJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)7-14-6-9(16)15-8-4-2-1-3-5-8/h1-2,8,14H,3-7H2,(H,15,16).
What are the key properties of N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78995543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).