2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide

C18H34F3NO — CID 174357459

IUPAC2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide
SMILESCCCCCCC(C)(CCCCCC)C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-5-7-9-11-13-17(4,14-12-10-8-6-2)16(23)22-15(3)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyQDYFHZVHLPADPL-HNNXBMFYSA-N
MW337.47 g/mol
LogP6.00
Rot. Bonds12

About 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide

2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide (PubChem CID 174357459) has the molecular formula C18H34F3NO and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide.

Molecular Properties

Compound Name2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide
PubChem CID174357459
Molecular FormulaC18H34F3NO
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide
SMILESCCCCCCC(C)(CCCCCC)C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C18H34F3NO/c1-5-7-9-11-13-17(4,14-12-10-8-6-2)16(23)22-15(3)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyQDYFHZVHLPADPL-HNNXBMFYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.00
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-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide?
The IUPAC name of 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide (CID 174357459) is 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide.
What is the SMILES notation for 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide?
The canonical SMILES for 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide is CCCCCCC(C)(CCCCCC)C(=O)N[C@@H](C)C(F)(F)F.
What is the InChIKey of 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide?
The InChIKey is QDYFHZVHLPADPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H34F3NO/c1-5-7-9-11-13-17(4,14-12-10-8-6-2)16(23)22-15(3)18(19,20)21/h15H,5-14H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide?
2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide has a molecular weight of 337.47 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]octanamide is sourced from PubChem (CID 174357459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).