7-(difluoromethyl)-1,4-oxazepane;hydrochloride

C6H12ClF2NO — CID 126836163

IUPAC7-(difluoromethyl)-1,4-oxazepane;hydrochloride
SMILESCl.FC(F)C1CCNCCO1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5-1-2-9-3-4-10-5;/h5-6,9H,1-4H2;1H
InChIKeyFVVDOSXVUOASIN-UHFFFAOYSA-N
MW187.62 g/mol
LogP1.05
Rot. Bonds1

About 7-(difluoromethyl)-1,4-oxazepane;hydrochloride

7-(difluoromethyl)-1,4-oxazepane;hydrochloride (PubChem CID 126836163) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is 7-(difluoromethyl)-1,4-oxazepane;hydrochloride.

Molecular Properties

Compound Name7-(difluoromethyl)-1,4-oxazepane;hydrochloride
PubChem CID126836163
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name7-(difluoromethyl)-1,4-oxazepane;hydrochloride
SMILESCl.FC(F)C1CCNCCO1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)5-1-2-9-3-4-10-5;/h5-6,9H,1-4H2;1H
InChIKeyFVVDOSXVUOASIN-UHFFFAOYSA-N
XLogP1.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1,4-oxazepane;hydrochloride?
The IUPAC name of 7-(difluoromethyl)-1,4-oxazepane;hydrochloride (CID 126836163) is 7-(difluoromethyl)-1,4-oxazepane;hydrochloride.
What is the SMILES notation for 7-(difluoromethyl)-1,4-oxazepane;hydrochloride?
The canonical SMILES for 7-(difluoromethyl)-1,4-oxazepane;hydrochloride is Cl.FC(F)C1CCNCCO1.
What is the InChIKey of 7-(difluoromethyl)-1,4-oxazepane;hydrochloride?
The InChIKey is FVVDOSXVUOASIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)5-1-2-9-3-4-10-5;/h5-6,9H,1-4H2;1H.
What are the key properties of 7-(difluoromethyl)-1,4-oxazepane;hydrochloride?
7-(difluoromethyl)-1,4-oxazepane;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1,4-oxazepane;hydrochloride is sourced from PubChem (CID 126836163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).