2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide

C11H19F4NO — CID 103732426

IUPAC2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
SMILESCCCCCCC(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-3-4-5-6-7-8(2)16-10(17)11(14,15)9(12)13/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyGLHVACQZQNMEME-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.36
Rot. Bonds8

About 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide

2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide (PubChem CID 103732426) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
PubChem CID103732426
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
SMILESCCCCCCC(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-3-4-5-6-7-8(2)16-10(17)11(14,15)9(12)13/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyGLHVACQZQNMEME-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-dodecan-2-ylpropanamide
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2-methyl-N-octan-2-ylprop-2-enamide
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2-methyl-N-tetradecan-2-ylprop-2-enamide
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N-octadecan-2-ylhexadecanamide
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N-heptan-2-yldodecanamide
CID 3484810
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
2-hydroxy-N-octadecan-2-ylpentadecanamide
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2-chloro-N-[(2R)-octan-2-yl]acetamide
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1-ethyl-3-octan-2-ylurea
CID 56827686

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide (CID 103732426) is 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide is CCCCCCC(C)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide?
The InChIKey is GLHVACQZQNMEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-3-4-5-6-7-8(2)16-10(17)11(14,15)9(12)13/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide?
2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide has a molecular weight of 257.27 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide is sourced from PubChem (CID 103732426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).