2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C9H10F7NO2 — CID 40551150

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESO=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)17-4-5-2-1-3-19-5/h5H,1-4H2,(H,17,18)/t5-/m1/s1
InChIKeyUXUULZBMUREGDR-RXMQYKEDSA-N
MW297.17 g/mol
LogP2.11
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 40551150) has the molecular formula C9H10F7NO2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID40551150
Molecular FormulaC9H10F7NO2
Molecular Weight297.17 g/mol
Exact Mass297.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESO=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)17-4-5-2-1-3-19-5/h5H,1-4H2,(H,17,18)/t5-/m1/s1
InChIKeyUXUULZBMUREGDR-RXMQYKEDSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 40551150) is 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide is O=C(NC[C@H]1CCCO1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is UXUULZBMUREGDR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)17-4-5-2-1-3-19-5/h5H,1-4H2,(H,17,18)/t5-/m1/s1.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 297.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 40551150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).