N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H17F3N2O2 — CID 103209515

IUPACN-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-7(4-13)14-8(15)5-16-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyPBNOSCQPSABDDC-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds7

About N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209515) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209515
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-7(4-13)14-8(15)5-16-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15)
InChIKeyPBNOSCQPSABDDC-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209515) is N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCCC(CN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is PBNOSCQPSABDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-3-7(4-13)14-8(15)5-16-6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).