2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide

C9H17F3N2O2 — CID 66274633

IUPAC2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
SMILESCC(OCCCC(C)(N)C(N)=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(9(10,11)12)16-5-3-4-8(2,14)7(13)15/h6H,3-5,14H2,1-2H3,(H2,13,15)
InChIKeySZIHWJBMUDVDLD-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.94
Rot. Bonds6

About 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide

2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide (PubChem CID 66274633) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
PubChem CID66274633
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
SMILESCC(OCCCC(C)(N)C(N)=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(9(10,11)12)16-5-3-4-8(2,14)7(13)15/h6H,3-5,14H2,1-2H3,(H2,13,15)
InChIKeySZIHWJBMUDVDLD-UHFFFAOYSA-N
XLogP0.94
TPSA78.34 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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide?
The IUPAC name of 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide (CID 66274633) is 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide?
The canonical SMILES for 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide is CC(OCCCC(C)(N)C(N)=O)C(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide?
The InChIKey is SZIHWJBMUDVDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(9(10,11)12)16-5-3-4-8(2,14)7(13)15/h6H,3-5,14H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide?
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide has a molecular weight of 242.24 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide is sourced from PubChem (CID 66274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).