2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide

C8H10F3NO — CID 20522320

IUPAC2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide
SMILESO=C(NF)C(F)(F)C1CC=CCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,7(13)12-11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyDWUCPUKUCBOYOW-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.98
Rot. Bonds2

About 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide

2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide (PubChem CID 20522320) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide
PubChem CID20522320
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide
SMILESO=C(NF)C(F)(F)C1CC=CCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,7(13)12-11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyDWUCPUKUCBOYOW-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide (CID 20522320) is 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide is O=C(NF)C(F)(F)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide?
The InChIKey is DWUCPUKUCBOYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,7(13)12-11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13).
What are the key properties of 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide?
2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N,2,2-trifluoroacetamide is sourced from PubChem (CID 20522320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).