2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide

C10H14F7NO — CID 540603

IUPAC2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO/c1-2-3-4-5-6-18-7(19)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3,(H,18,19)
InChIKeyMNNLGTKVUUOSTQ-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.52
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide (PubChem CID 540603) has the molecular formula C10H14F7NO and a molecular weight of 297.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide
PubChem CID540603
Molecular FormulaC10H14F7NO
Molecular Weight297.21 g/mol
Exact Mass297.10
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO/c1-2-3-4-5-6-18-7(19)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3,(H,18,19)
InChIKeyMNNLGTKVUUOSTQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 53.52
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 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide (CID 540603) is 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide is CCCCCCNC(=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-hexylbutanamide?
The InChIKey is MNNLGTKVUUOSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7NO/c1-2-3-4-5-6-18-7(19)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3,(H,18,19).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide has a molecular weight of 297.21 g/mol, XLogP of 3.52, 7 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-hexylbutanamide is sourced from PubChem (CID 540603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).