2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide

C9H15F4NO — CID 103733381

IUPAC2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-4-5-8(2,3)14-7(15)9(12,13)6(10)11/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyHWVALBFAYOTJGD-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.58
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide

2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide (PubChem CID 103733381) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide
PubChem CID103733381
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-4-5-8(2,3)14-7(15)9(12,13)6(10)11/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyHWVALBFAYOTJGD-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide (CID 103733381) is 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide is CCCC(C)(C)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide?
The InChIKey is HWVALBFAYOTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-4-5-8(2,3)14-7(15)9(12,13)6(10)11/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide has a molecular weight of 229.22 g/mol, XLogP of 2.58, 5 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-(2-methylpentan-2-yl)propanamide is sourced from PubChem (CID 103733381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).