2-(difluoromethyl)-3-methyl-1,4-oxazepane

C7H13F2NO — CID 170772059

IUPAC2-(difluoromethyl)-3-methyl-1,4-oxazepane
SMILESCC1NCCCOC1C(F)F
InChIInChI=1S/C7H13F2NO/c1-5-6(7(8)9)11-4-2-3-10-5/h5-7,10H,2-4H2,1H3
InChIKeyWCFNQVDKXKAQKT-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds1

About 2-(difluoromethyl)-3-methyl-1,4-oxazepane

2-(difluoromethyl)-3-methyl-1,4-oxazepane (PubChem CID 170772059) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-1,4-oxazepane.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-1,4-oxazepane
PubChem CID170772059
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(difluoromethyl)-3-methyl-1,4-oxazepane
SMILESCC1NCCCOC1C(F)F
InChIInChI=1S/C7H13F2NO/c1-5-6(7(8)9)11-4-2-3-10-5/h5-7,10H,2-4H2,1H3
InChIKeyWCFNQVDKXKAQKT-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-1,4-oxazepane?
The IUPAC name of 2-(difluoromethyl)-3-methyl-1,4-oxazepane (CID 170772059) is 2-(difluoromethyl)-3-methyl-1,4-oxazepane.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-1,4-oxazepane?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-1,4-oxazepane is CC1NCCCOC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-1,4-oxazepane?
The InChIKey is WCFNQVDKXKAQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-6(7(8)9)11-4-2-3-10-5/h5-7,10H,2-4H2,1H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-1,4-oxazepane?
2-(difluoromethyl)-3-methyl-1,4-oxazepane has a molecular weight of 165.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-1,4-oxazepane is sourced from PubChem (CID 170772059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).