6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide

C7H12F2N2O2 — CID 131159734

IUPAC6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide
SMILESCNC(=O)N1CCOCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O2/c1-10-6(12)11-2-3-13-5-7(8,9)4-11/h2-5H2,1H3,(H,10,12)
InChIKeyRUWNSDIBQJMADG-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.29
Rot. Bonds

About 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide

6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 131159734) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide
PubChem CID131159734
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide
SMILESCNC(=O)N1CCOCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O2/c1-10-6(12)11-2-3-13-5-7(8,9)4-11/h2-5H2,1H3,(H,10,12)
InChIKeyRUWNSDIBQJMADG-UHFFFAOYSA-N
XLogP0.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
CID 154737340
6,6-difluoro-N-methyl-1,4-oxazepan-4-amine
CID 160837150
6,6-difluoro-N-[(4-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carboxamide
CID 136547260
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
6,6-difluoro-N-[(1S)-1-(1H-indazol-5-yl)ethyl]-1,4-oxazepane-4-carboxamide
CID 125418844
(4R)-4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-methylpiperidin-2-one
CID 129349181
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
6,6-difluoro-4-iodo-1,4-oxazepane
CID 147262160
2-chloro-1-(6-fluoro-6-methyl-1,4-oxazepan-4-yl)ethanone
CID 167577834
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide (CID 131159734) is 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide is CNC(=O)N1CCOCC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is RUWNSDIBQJMADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-10-6(12)11-2-3-13-5-7(8,9)4-11/h2-5H2,1H3,(H,10,12).
What are the key properties of 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide?
6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 194.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 131159734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).