2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide

C17H32F3NO — CID 167291165

IUPAC2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide
SMILESCCCCCCCC(C)(CCCC)C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-5-7-9-10-11-13-16(4,12-8-6-2)15(22)21-14(3)17(18,19)20/h14H,5-13H2,1-4H3,(H,21,22)/t14-,16?/m0/s1
InChIKeyKCIDHONURSBILO-LBAUFKAWSA-N
MW323.44 g/mol
LogP5.61
Rot. Bonds11

About 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide

2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide (PubChem CID 167291165) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide.

Molecular Properties

Compound Name2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide
PubChem CID167291165
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide
SMILESCCCCCCCC(C)(CCCC)C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-5-7-9-10-11-13-16(4,12-8-6-2)15(22)21-14(3)17(18,19)20/h14H,5-13H2,1-4H3,(H,21,22)/t14-,16?/m0/s1
InChIKeyKCIDHONURSBILO-LBAUFKAWSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide?
The IUPAC name of 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide (CID 167291165) is 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide.
What is the SMILES notation for 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide?
The canonical SMILES for 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide is CCCCCCCC(C)(CCCC)C(=O)N[C@@H](C)C(F)(F)F.
What is the InChIKey of 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide?
The InChIKey is KCIDHONURSBILO-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H32F3NO/c1-5-7-9-10-11-13-16(4,12-8-6-2)15(22)21-14(3)17(18,19)20/h14H,5-13H2,1-4H3,(H,21,22)/t14-,16?/m0/s1.
What are the key properties of 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide?
2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide has a molecular weight of 323.44 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]nonanamide is sourced from PubChem (CID 167291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).