2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide

C7H8F7NO — CID 3653763

IUPAC2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-3(2)15-4(16)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3,(H,15,16)
InChIKeyNDGPHZORDHOIBE-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.34
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide (PubChem CID 3653763) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide
PubChem CID3653763
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c1-3(2)15-4(16)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3,(H,15,16)
InChIKeyNDGPHZORDHOIBE-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.34
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 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide (CID 3653763) is 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide is CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide?
The InChIKey is NDGPHZORDHOIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-3(2)15-4(16)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3,(H,15,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide has a molecular weight of 255.13 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-propan-2-ylbutanamide is sourced from PubChem (CID 3653763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).