N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide

C8H10F7NO — CID 617516

IUPACN-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-3-4(2)16-5(17)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyUVZZELJWFBMUIW-UHFFFAOYSA-N
MW269.16 g/mol
LogP2.73
Rot. Bonds4

About N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide

N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 617516) has the molecular formula C8H10F7NO and a molecular weight of 269.16 g/mol. Its IUPAC name is N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID617516
Molecular FormulaC8H10F7NO
Molecular Weight269.16 g/mol
Exact Mass269.07
IUPAC NameN-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO/c1-3-4(2)16-5(17)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17)
InChIKeyUVZZELJWFBMUIW-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 52.73
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 N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 617516) is N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide is CCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is UVZZELJWFBMUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO/c1-3-4(2)16-5(17)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 269.16 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 617516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).