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

C12H19F2NO2 — CID 107482414

IUPAC2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H19F2NO2/c13-11(14)9-15(6-7-16)12(17)8-10-4-2-1-3-5-10/h4,11,16H,1-3,5-9H2
InChIKeyHAFIVUFFKLNCOG-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.96
Rot. Bonds6

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

2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482414) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482414
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CC(F)F
InChIInChI=1S/C12H19F2NO2/c13-11(14)9-15(6-7-16)12(17)8-10-4-2-1-3-5-10/h4,11,16H,1-3,5-9H2
InChIKeyHAFIVUFFKLNCOG-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.96
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107482414) is 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is O=C(CC1=CCCCC1)N(CCO)CC(F)F.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is HAFIVUFFKLNCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-11(14)9-15(6-7-16)12(17)8-10-4-2-1-3-5-10/h4,11,16H,1-3,5-9H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(cyclohexen-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 247.28 g/mol, XLogP of 1.96, 6 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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).