6-fluoro-2-propan-2-yl-1,4-oxazepane

C8H16FNO — CID 171831248

IUPAC6-fluoro-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNCC(F)CO1
InChIInChI=1S/C8H16FNO/c1-6(2)8-4-10-3-7(9)5-11-8/h6-8,10H,3-5H2,1-2H3
InChIKeyOXJUASPWLABFDA-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds1

About 6-fluoro-2-propan-2-yl-1,4-oxazepane

6-fluoro-2-propan-2-yl-1,4-oxazepane (PubChem CID 171831248) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name6-fluoro-2-propan-2-yl-1,4-oxazepane
PubChem CID171831248
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name6-fluoro-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNCC(F)CO1
InChIInChI=1S/C8H16FNO/c1-6(2)8-4-10-3-7(9)5-11-8/h6-8,10H,3-5H2,1-2H3
InChIKeyOXJUASPWLABFDA-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-yl-1,4-oxazepane?
The IUPAC name of 6-fluoro-2-propan-2-yl-1,4-oxazepane (CID 171831248) is 6-fluoro-2-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 6-fluoro-2-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 6-fluoro-2-propan-2-yl-1,4-oxazepane is CC(C)C1CNCC(F)CO1.
What is the InChIKey of 6-fluoro-2-propan-2-yl-1,4-oxazepane?
The InChIKey is OXJUASPWLABFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)8-4-10-3-7(9)5-11-8/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-yl-1,4-oxazepane?
6-fluoro-2-propan-2-yl-1,4-oxazepane has a molecular weight of 161.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 171831248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).