2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 60694284

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-16-11(19)8-17(6-7-18)10-4-2-1-3-5-10/h10,18H,1-9H2,(H,16,19)
InChIKeyXKVKUXAEBYDVJC-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.29
Rot. Bonds6

About 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60694284) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60694284
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CCO)C1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-16-11(19)8-17(6-7-18)10-4-2-1-3-5-10/h10,18H,1-9H2,(H,16,19)
InChIKeyXKVKUXAEBYDVJC-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60694284) is 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(CCO)C1CCCCC1)NCC(F)(F)F.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XKVKUXAEBYDVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-16-11(19)8-17(6-7-18)10-4-2-1-3-5-10/h10,18H,1-9H2,(H,16,19).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).