2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide

C10H15F3N2O — CID 79811707

IUPAC2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-9(14,10(11,12)13)8(16)15-7-5-3-2-4-6-7/h2-3,7H,4-6,14H2,1H3,(H,15,16)
InChIKeyOHJDVPUAAHPKRD-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811707) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811707
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-9(14,10(11,12)13)8(16)15-7-5-3-2-4-6-7/h2-3,7H,4-6,14H2,1H3,(H,15,16)
InChIKeyOHJDVPUAAHPKRD-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.49
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-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide (CID 79811707) is 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NC1CC=CCC1)C(F)(F)F.
What is the InChIKey of 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is OHJDVPUAAHPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-9(14,10(11,12)13)8(16)15-7-5-3-2-4-6-7/h2-3,7H,4-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 236.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).