methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate

C14H22F2N2O3 — CID 66660867

IUPACmethyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate
SMILESCOC(=O)C(CC(C)(F)F)NC(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C14H22F2N2O3/c1-13(15,16)9-10(11(19)21-2)17-12(20)18-7-5-14(3-4-14)6-8-18/h10H,3-9H2,1-2H3,(H,17,20)
InChIKeyIMEZOLGAVQWVIZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate

methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate (PubChem CID 66660867) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate.

Molecular Properties

Compound Namemethyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate
PubChem CID66660867
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Namemethyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate
SMILESCOC(=O)C(CC(C)(F)F)NC(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C14H22F2N2O3/c1-13(15,16)9-10(11(19)21-2)17-12(20)18-7-5-14(3-4-14)6-8-18/h10H,3-9H2,1-2H3,(H,17,20)
InChIKeyIMEZOLGAVQWVIZ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate?
The IUPAC name of methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate (CID 66660867) is methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate.
What is the SMILES notation for methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate?
The canonical SMILES for methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate is COC(=O)C(CC(C)(F)F)NC(=O)N1CCC2(CC1)CC2.
What is the InChIKey of methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate?
The InChIKey is IMEZOLGAVQWVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-13(15,16)9-10(11(19)21-2)17-12(20)18-7-5-14(3-4-14)6-8-18/h10H,3-9H2,1-2H3,(H,17,20).
What are the key properties of methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate?
methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate has a molecular weight of 304.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate is sourced from PubChem (CID 66660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).