2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H18F3NO2 — CID 113339814

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-16(6-7-17)11(18)8-10-4-2-1-3-5-10/h4,17H,1-3,5-9H2
InChIKeyNYNWONNKWDHKBK-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.26
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113339814) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113339814
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-16(6-7-17)11(18)8-10-4-2-1-3-5-10/h4,17H,1-3,5-9H2
InChIKeyNYNWONNKWDHKBK-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113339814) is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1=CCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NYNWONNKWDHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)9-16(6-7-17)11(18)8-10-4-2-1-3-5-10/h4,17H,1-3,5-9H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113339814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).