(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane

C8H16FNO — CID 171831202

IUPAC(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNC[C@@H](F)CO1
InChIInChI=1S/C8H16FNO/c1-6(2)8-4-10-3-7(9)5-11-8/h6-8,10H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyOXJUASPWLABFDA-GVHYBUMESA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds1

About (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane

(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane (PubChem CID 171831202) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane
PubChem CID171831202
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CNC[C@@H](F)CO1
InChIInChI=1S/C8H16FNO/c1-6(2)8-4-10-3-7(9)5-11-8/h6-8,10H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyOXJUASPWLABFDA-GVHYBUMESA-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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Related Compounds

rac-(2R,7S)-2,7-dimethyl-1,4-oxazepane
CID 122164240
2-Ethyl-1,4-oxazepane
CID 43498380
6-(Propan-2-yl)-1,4-oxazepane
CID 58394817
2-(Propan-2-yl)-1,4-oxazepane
CID 82594498
2-Methyl-7-(trifluoromethyl)-1,4-oxazepane
CID 131492714
7,7-Dimethyl-1,4-oxazepane hydrochloride
CID 132372490
7-Methyl-7-(trifluoromethyl)-1,4-oxazepane
CID 138039599
Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine
CID 165590722
2-(Fluoromethyl)-1,4-oxazepane
CID 105427730
7,7-Dimethyl-[1,4]oxazepane
CID 67123091
7-Methyl-1,4-oxazepane
CID 68056775
6-Fluoro-6-methyl-1,4-oxazepane
CID 84648182

Frequently Asked Questions

What is the IUPAC name of (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane?
The IUPAC name of (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane (CID 171831202) is (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane?
The canonical SMILES for (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane is CC(C)C1CNC[C@@H](F)CO1.
What is the InChIKey of (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane?
The InChIKey is OXJUASPWLABFDA-GVHYBUMESA-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/t7-,8?/m1/s1.
What are the key properties of (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane?
(6R)-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 (6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 171831202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).