6-fluoro-6-methyl-1,4-oxazepane

C6H12FNO — CID 84648182

IUPAC6-fluoro-6-methyl-1,4-oxazepane
SMILESCC1(F)CNCCOC1
InChIInChI=1S/C6H12FNO/c1-6(7)4-8-2-3-9-5-6/h8H,2-5H2,1H3
InChIKeyOLRSBCAZNRXORK-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds

About 6-fluoro-6-methyl-1,4-oxazepane

6-fluoro-6-methyl-1,4-oxazepane (PubChem CID 84648182) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 6-fluoro-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name6-fluoro-6-methyl-1,4-oxazepane
PubChem CID84648182
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name6-fluoro-6-methyl-1,4-oxazepane
SMILESCC1(F)CNCCOC1
InChIInChI=1S/C6H12FNO/c1-6(7)4-8-2-3-9-5-6/h8H,2-5H2,1H3
InChIKeyOLRSBCAZNRXORK-UHFFFAOYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-1,4-oxazepane?
The IUPAC name of 6-fluoro-6-methyl-1,4-oxazepane (CID 84648182) is 6-fluoro-6-methyl-1,4-oxazepane.
What is the SMILES notation for 6-fluoro-6-methyl-1,4-oxazepane?
The canonical SMILES for 6-fluoro-6-methyl-1,4-oxazepane is CC1(F)CNCCOC1.
What is the InChIKey of 6-fluoro-6-methyl-1,4-oxazepane?
The InChIKey is OLRSBCAZNRXORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(7)4-8-2-3-9-5-6/h8H,2-5H2,1H3.
What are the key properties of 6-fluoro-6-methyl-1,4-oxazepane?
6-fluoro-6-methyl-1,4-oxazepane has a molecular weight of 133.17 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-1,4-oxazepane is sourced from PubChem (CID 84648182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).