2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide

C9H17F3N2O2 — CID 106134707

IUPAC2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(15)4-3-5-14-7(16)8(2,13)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyPGJIRNFPWIUOIS-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.54
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide (PubChem CID 106134707) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide
PubChem CID106134707
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide
SMILESCC(O)CCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(15)4-3-5-14-7(16)8(2,13)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyPGJIRNFPWIUOIS-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.54
H-Bond Donors ≤ 53
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-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide (CID 106134707) is 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide is CC(O)CCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide?
The InChIKey is PGJIRNFPWIUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(15)4-3-5-14-7(16)8(2,13)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide has a molecular weight of 242.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide is sourced from PubChem (CID 106134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).