2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3NO2 — CID 103915346

IUPAC2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)12(19)9-11-5-3-1-2-4-6-11/h11,18H,1-10H2
InChIKeyVFUHFYIVTGLHOQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.73
Rot. Bonds5

About 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915346) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915346
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)12(19)9-11-5-3-1-2-4-6-11/h11,18H,1-10H2
InChIKeyVFUHFYIVTGLHOQ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103915346) is 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CCCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VFUHFYIVTGLHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)12(19)9-11-5-3-1-2-4-6-11/h11,18H,1-10H2.
What are the key properties of 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).