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

C7H9F2N3O2 — CID 135240999

IUPAC6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2(F)F)N1
InChIInChI=1S/C7H9F2N3O2/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6/h10H,1-3H2,(H2,11,12,13,14)
InChIKeyIZGHPZIFIAWQPG-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.81
Rot. Bonds

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

6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135240999) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135240999
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2(F)F)N1
InChIInChI=1S/C7H9F2N3O2/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6/h10H,1-3H2,(H2,11,12,13,14)
InChIKeyIZGHPZIFIAWQPG-UHFFFAOYSA-N
XLogP-0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
1,3,8-Triazaspiro[4.5]decane-2,4-dione
CID 120989
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
1,3,7-Triazaspiro(4.5)decane-2,4-dione
CID 12652263
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 272002
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931314
3,8-Dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097484
3-Ethyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097487
(5R)-1,3,9-Triazaspiro[4.5]decane-2,4-dione
CID 29948024

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135240999) is 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione is 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?
The InChIKey is IZGHPZIFIAWQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-7(9)3-10-2-1-6(7)4(13)11-5(14)12-6/h10H,1-3H2,(H2,11,12,13,14).
What are the key properties of 6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6,6-difluoro-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 205.16 g/mol, XLogP of -0.81, 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 is sourced from PubChem (CID 135240999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).