6,6-difluoro-N-methyl-1,4-oxazepan-4-amine

C6H12F2N2O — CID 160837150

IUPAC6,6-difluoro-N-methyl-1,4-oxazepan-4-amine
SMILESCNN1CCOCC(F)(F)C1
InChIInChI=1S/C6H12F2N2O/c1-9-10-2-3-11-5-6(7,8)4-10/h9H,2-5H2,1H3
InChIKeySHNZKKQZEDSBBK-UHFFFAOYSA-N
MW166.17 g/mol
LogP0.09
Rot. Bonds1

About 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine

6,6-difluoro-N-methyl-1,4-oxazepan-4-amine (PubChem CID 160837150) has the molecular formula C6H12F2N2O and a molecular weight of 166.17 g/mol. Its IUPAC name is 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine.

Molecular Properties

Compound Name6,6-difluoro-N-methyl-1,4-oxazepan-4-amine
PubChem CID160837150
Molecular FormulaC6H12F2N2O
Molecular Weight166.17 g/mol
Exact Mass166.09
IUPAC Name6,6-difluoro-N-methyl-1,4-oxazepan-4-amine
SMILESCNN1CCOCC(F)(F)C1
InChIInChI=1S/C6H12F2N2O/c1-9-10-2-3-11-5-6(7,8)4-10/h9H,2-5H2,1H3
InChIKeySHNZKKQZEDSBBK-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine?
The IUPAC name of 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine (CID 160837150) is 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine.
What is the SMILES notation for 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine?
The canonical SMILES for 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine is CNN1CCOCC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine?
The InChIKey is SHNZKKQZEDSBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O/c1-9-10-2-3-11-5-6(7,8)4-10/h9H,2-5H2,1H3.
What are the key properties of 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine?
6,6-difluoro-N-methyl-1,4-oxazepan-4-amine has a molecular weight of 166.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-methyl-1,4-oxazepan-4-amine is sourced from PubChem (CID 160837150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).