2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide

C10H11F7N2O2 — CID 122206979

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
SMILESO=C1NCCCCC1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-3-1-2-4-18-6(5)20/h5H,1-4H2,(H,18,20)(H,19,21)
InChIKeyBKWVELYYYXGQLJ-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.60
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide (PubChem CID 122206979) has the molecular formula C10H11F7N2O2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
PubChem CID122206979
Molecular FormulaC10H11F7N2O2
Molecular Weight324.20 g/mol
Exact Mass324.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
SMILESO=C1NCCCCC1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-3-1-2-4-18-6(5)20/h5H,1-4H2,(H,18,20)(H,19,21)
InChIKeyBKWVELYYYXGQLJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-2-oxo-2-[(2-oxoazepan-3-yl)amino]ethanesulfonic acid
CID 88586538
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411
3-amino-2,2,3-trimethyl-N-(2-oxopiperidin-3-yl)butanamide
CID 65266745
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55809279
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide (CID 122206979) is 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide is O=C1NCCCCC1NC(=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-(2-oxoazepan-3-yl)butanamide?
The InChIKey is BKWVELYYYXGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-3-1-2-4-18-6(5)20/h5H,1-4H2,(H,18,20)(H,19,21).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide has a molecular weight of 324.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 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-(2-oxoazepan-3-yl)butanamide is sourced from PubChem (CID 122206979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).