6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C7H10ClF2N3O2 — CID 135241337

IUPAC6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCNCC2(F)F)N1
InChIInChI=1S/C7H9F2N3O2.ClH/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6;/h10H,1-3H2,(H2,11,12,13,14);1H
InChIKeyBJVYKNWYRHWSND-UHFFFAOYSA-N
MW241.62 g/mol
LogP-0.38
Rot. Bonds

About 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 135241337) has the molecular formula C7H10ClF2N3O2 and a molecular weight of 241.62 g/mol. Its IUPAC name is 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID135241337
Molecular FormulaC7H10ClF2N3O2
Molecular Weight241.62 g/mol
Exact Mass241.04
IUPAC Name6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCNCC2(F)F)N1
InChIInChI=1S/C7H9F2N3O2.ClH/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6;/h10H,1-3H2,(H2,11,12,13,14);1H
InChIKeyBJVYKNWYRHWSND-UHFFFAOYSA-N
XLogP-0.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 135241337) is 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is Cl.O=C1NC(=O)C2(CCNCC2(F)F)N1.
What is the InChIKey of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is BJVYKNWYRHWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2.ClH/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6;/h10H,1-3H2,(H2,11,12,13,14);1H.
What are the key properties of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 241.62 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 135241337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).