2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C12H22F2N2O2 — CID 107487290

IUPAC2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESNC1CCCC(CC(=O)N(CCO)CC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c13-11(14)8-16(4-5-17)12(18)7-9-2-1-3-10(15)6-9/h9-11,17H,1-8,15H2
InChIKeyWNBRDZMSQGAXTK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.98
Rot. Bonds6

About 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107487290) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107487290
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESNC1CCCC(CC(=O)N(CCO)CC(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c13-11(14)8-16(4-5-17)12(18)7-9-2-1-3-10(15)6-9/h9-11,17H,1-8,15H2
InChIKeyWNBRDZMSQGAXTK-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107487290) is 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is NC1CCCC(CC(=O)N(CCO)CC(F)F)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is WNBRDZMSQGAXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c13-11(14)8-16(4-5-17)12(18)7-9-2-1-3-10(15)6-9/h9-11,17H,1-8,15H2.
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107487290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).