2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide

C10H16F5NO — CID 91730518

IUPAC2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c1-3-4-5-6-7(2)16-8(17)9(11,12)10(13,14)15/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPLEAPXPYTFICLZ-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.27
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide

2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide (PubChem CID 91730518) has the molecular formula C10H16F5NO and a molecular weight of 261.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide
PubChem CID91730518
Molecular FormulaC10H16F5NO
Molecular Weight261.23 g/mol
Exact Mass261.12
IUPAC Name2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c1-3-4-5-6-7(2)16-8(17)9(11,12)10(13,14)15/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPLEAPXPYTFICLZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide (CID 91730518) is 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide?
The InChIKey is PLEAPXPYTFICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO/c1-3-4-5-6-7(2)16-8(17)9(11,12)10(13,14)15/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide?
2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide has a molecular weight of 261.23 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-heptan-2-ylpropanamide is sourced from PubChem (CID 91730518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).