6,6-difluoro-1,4-oxazepane;hydrochloride

C5H10ClF2NO — CID 71306216

IUPAC6,6-difluoro-1,4-oxazepane;hydrochloride
SMILESCl.FC1(F)CNCCOC1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-2-9-4-5;/h8H,1-4H2;1H
InChIKeyMMOODUDIFAVCIO-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.66
Rot. Bonds

About 6,6-difluoro-1,4-oxazepane;hydrochloride

6,6-difluoro-1,4-oxazepane;hydrochloride (PubChem CID 71306216) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 6,6-difluoro-1,4-oxazepane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-1,4-oxazepane;hydrochloride
PubChem CID71306216
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name6,6-difluoro-1,4-oxazepane;hydrochloride
SMILESCl.FC1(F)CNCCOC1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-2-9-4-5;/h8H,1-4H2;1H
InChIKeyMMOODUDIFAVCIO-UHFFFAOYSA-N
XLogP0.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-difluoro-1,4-oxazepane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4-oxazepane;hydrochloride?
The IUPAC name of 6,6-difluoro-1,4-oxazepane;hydrochloride (CID 71306216) is 6,6-difluoro-1,4-oxazepane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-1,4-oxazepane;hydrochloride?
The canonical SMILES for 6,6-difluoro-1,4-oxazepane;hydrochloride is Cl.FC1(F)CNCCOC1.
What is the InChIKey of 6,6-difluoro-1,4-oxazepane;hydrochloride?
The InChIKey is MMOODUDIFAVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)3-8-1-2-9-4-5;/h8H,1-4H2;1H.
What are the key properties of 6,6-difluoro-1,4-oxazepane;hydrochloride?
6,6-difluoro-1,4-oxazepane;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4-oxazepane;hydrochloride is sourced from PubChem (CID 71306216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).