2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide

C9H10F7NO2 — CID 5237136

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(NCC1CCCO1)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)
InChIKeyUXUULZBMUREGDR-UHFFFAOYSA-N
MW297.17 g/mol
LogP2.11
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 5237136) 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-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
PubChem CID5237136
Molecular FormulaC9H10F7NO2
Molecular Weight297.17 g/mol
Exact Mass297.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(NCC1CCCO1)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)
InChIKeyUXUULZBMUREGDR-UHFFFAOYSA-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'}

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2,2,2-trifluoro-
CID 532126
Pentanamide, N-tetrahydrofurfuryl-
CID 531771
Butanamide, N-tetrahydrofurfuryl-
CID 531792
Cyclopropanecarboxamide, N-tetrahydrofurfuryl-
CID 532026
2,2,3,3-Tetrafluoro-N,N'-bis(tetrahydro-2-furanylmethyl)succinamide
CID 2933142
4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen
CID 157032971
4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 157032972
N-[[5-(trifluoromethyl)oxolan-2-yl]methyl]formamide
CID 170084777
2,2,3,3-tetrafluoro-N-[[(2S)-oxolan-2-yl]methyl]-N'-[[(2R)-oxolan-2-yl]methyl]butanediamide
CID 2166370
2,2,3,3-tetrafluoro-N,N'-bis[[(2R)-oxolan-2-yl]methyl]butanediamide
CID 2166371
2,2,3,3-tetrafluoro-N,N'-bis[[(2S)-oxolan-2-yl]methyl]butanediamide
CID 2166372
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide
CID 3469487

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide (CID 5237136) is 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide is O=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is UXUULZBMUREGDR-UHFFFAOYSA-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).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 5237136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).