2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide

C9H17F3N2O2 — CID 60953625

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-7(13)8(16)14(4-5-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyDMXQVNWAQNXOTK-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.50
Rot. Bonds6

About 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 60953625) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID60953625
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-7(13)8(16)14(4-5-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyDMXQVNWAQNXOTK-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 60953625) is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(N)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is DMXQVNWAQNXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-3-7(13)8(16)14(4-5-15)6-9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 242.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 60953625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).