2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide

C8H9F2NO2 — CID 118087420

IUPAC2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide
SMILESCC1(C(=O)N=O)CC2(C1)CC2(F)F
InChIInChI=1S/C8H9F2NO2/c1-6(5(12)11-13)2-7(3-6)4-8(7,9)10/h2-4H2,1H3
InChIKeyGVAVZDBKEZVBPQ-UHFFFAOYSA-N
MW189.16 g/mol
LogP2.10
Rot. Bonds1

About 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide

2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide (PubChem CID 118087420) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide
PubChem CID118087420
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide
SMILESCC1(C(=O)N=O)CC2(C1)CC2(F)F
InChIInChI=1S/C8H9F2NO2/c1-6(5(12)11-13)2-7(3-6)4-8(7,9)10/h2-4H2,1H3
InChIKeyGVAVZDBKEZVBPQ-UHFFFAOYSA-N
XLogP2.10
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide?
The IUPAC name of 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide (CID 118087420) is 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide?
The canonical SMILES for 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide is CC1(C(=O)N=O)CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide?
The InChIKey is GVAVZDBKEZVBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-6(5(12)11-13)2-7(3-6)4-8(7,9)10/h2-4H2,1H3.
What are the key properties of 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide?
2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide has a molecular weight of 189.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-N-oxospiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 118087420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).