7-methyl-7-(trifluoromethyl)-1,4-oxazepane

C7H12F3NO — CID 138039599

IUPAC7-methyl-7-(trifluoromethyl)-1,4-oxazepane
SMILESCC1(C(F)(F)F)CCNCCO1
InChIInChI=1S/C7H12F3NO/c1-6(7(8,9)10)2-3-11-4-5-12-6/h11H,2-5H2,1H3
InChIKeyWUEVOBPRQVFUMN-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds

About 7-methyl-7-(trifluoromethyl)-1,4-oxazepane

7-methyl-7-(trifluoromethyl)-1,4-oxazepane (PubChem CID 138039599) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 7-methyl-7-(trifluoromethyl)-1,4-oxazepane.

Molecular Properties

Compound Name7-methyl-7-(trifluoromethyl)-1,4-oxazepane
PubChem CID138039599
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name7-methyl-7-(trifluoromethyl)-1,4-oxazepane
SMILESCC1(C(F)(F)F)CCNCCO1
InChIInChI=1S/C7H12F3NO/c1-6(7(8,9)10)2-3-11-4-5-12-6/h11H,2-5H2,1H3
InChIKeyWUEVOBPRQVFUMN-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Difluoro-1,4-oxazepane hydrochloride
CID 71306216
2-Methyl-7-(trifluoromethyl)-1,4-oxazepane
CID 131492714
7-(Difluoromethyl)-1,4-oxazepane hydrochloride
CID 126836163
7,7-Dimethyl-1,4-oxazepane hydrochloride
CID 132372490
7-(Trifluoromethyl)-1,4-oxazepane hydrochloride
CID 137838492
2,2-Dimethyl-1,4-oxazepane
CID 28806956
2-(Trifluoromethyl)-1, 4-oxazepane
CID 63790287
7,7-Dimethyl-[1,4]oxazepane
CID 67123091
6,6-Difluoro-1,4-oxazepane
CID 71306217
7-(Trifluoromethyl)-1,4-oxazepane
CID 82597848
6-Fluoro-6-methyl-1,4-oxazepane
CID 84648182
6-(Trifluoromethyl)-1,4-oxazepane
CID 84717308

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(trifluoromethyl)-1,4-oxazepane?
The IUPAC name of 7-methyl-7-(trifluoromethyl)-1,4-oxazepane (CID 138039599) is 7-methyl-7-(trifluoromethyl)-1,4-oxazepane.
What is the SMILES notation for 7-methyl-7-(trifluoromethyl)-1,4-oxazepane?
The canonical SMILES for 7-methyl-7-(trifluoromethyl)-1,4-oxazepane is CC1(C(F)(F)F)CCNCCO1.
What is the InChIKey of 7-methyl-7-(trifluoromethyl)-1,4-oxazepane?
The InChIKey is WUEVOBPRQVFUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(7(8,9)10)2-3-11-4-5-12-6/h11H,2-5H2,1H3.
What are the key properties of 7-methyl-7-(trifluoromethyl)-1,4-oxazepane?
7-methyl-7-(trifluoromethyl)-1,4-oxazepane has a molecular weight of 183.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(trifluoromethyl)-1,4-oxazepane is sourced from PubChem (CID 138039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).