7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C14H16F2N4O2 — CID 131694806

IUPAC7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3
InChIKeyCHVCGTKHJKDKLM-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.81
Rot. Bonds1

About 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694806) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694806
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3
InChIKeyCHVCGTKHJKDKLM-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131694806) is 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is CN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CHVCGTKHJKDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 310.30 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).