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

C5H11ClF2N2 — CID 169219655

IUPAC6,6-difluoro-1,4-diazepane;hydrochloride
SMILESCl.FC1(F)CNCCNC1
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)3-8-1-2-9-4-5;/h8-9H,1-4H2;1H
InChIKeyWIUTXWOJBSKFLO-UHFFFAOYSA-N
MW172.61 g/mol
LogP0.24
Rot. Bonds

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

6,6-difluoro-1,4-diazepane;hydrochloride (PubChem CID 169219655) has the molecular formula C5H11ClF2N2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 6,6-difluoro-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-1,4-diazepane;hydrochloride
PubChem CID169219655
Molecular FormulaC5H11ClF2N2
Molecular Weight172.61 g/mol
Exact Mass172.06
IUPAC Name6,6-difluoro-1,4-diazepane;hydrochloride
SMILESCl.FC1(F)CNCCNC1
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)3-8-1-2-9-4-5;/h8-9H,1-4H2;1H
InChIKeyWIUTXWOJBSKFLO-UHFFFAOYSA-N
XLogP0.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4-diazepane;hydrochloride?
The IUPAC name of 6,6-difluoro-1,4-diazepane;hydrochloride (CID 169219655) is 6,6-difluoro-1,4-diazepane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-1,4-diazepane;hydrochloride?
The canonical SMILES for 6,6-difluoro-1,4-diazepane;hydrochloride is Cl.FC1(F)CNCCNC1.
What is the InChIKey of 6,6-difluoro-1,4-diazepane;hydrochloride?
The InChIKey is WIUTXWOJBSKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.ClH/c6-5(7)3-8-1-2-9-4-5;/h8-9H,1-4H2;1H.
What are the key properties of 6,6-difluoro-1,4-diazepane;hydrochloride?
6,6-difluoro-1,4-diazepane;hydrochloride has a molecular weight of 172.61 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4-diazepane;hydrochloride is sourced from PubChem (CID 169219655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).