2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide

C12H18F7NO — CID 4606680

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-7(2)5-20(6-8(3)4)9(21)10(13,14)11(15,16)12(17,18)19/h7-8H,5-6H2,1-4H3
InChIKeyNDFMNNOBKSRVCH-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.96
Rot. Bonds6

About 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide (PubChem CID 4606680) has the molecular formula C12H18F7NO and a molecular weight of 325.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide
PubChem CID4606680
Molecular FormulaC12H18F7NO
Molecular Weight325.27 g/mol
Exact Mass325.13
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-7(2)5-20(6-8(3)4)9(21)10(13,14)11(15,16)12(17,18)19/h7-8H,5-6H2,1-4H3
InChIKeyNDFMNNOBKSRVCH-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
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,N-bis(2-methylpropyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide (CID 4606680) is 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide is CC(C)CN(CC(C)C)C(=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,N-bis(2-methylpropyl)butanamide?
The InChIKey is NDFMNNOBKSRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F7NO/c1-7(2)5-20(6-8(3)4)9(21)10(13,14)11(15,16)12(17,18)19/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide has a molecular weight of 325.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 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,N-bis(2-methylpropyl)butanamide is sourced from PubChem (CID 4606680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).