4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane

C14H15F6N3 — CID 178072897

IUPAC4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
SMILESCC(F)(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1C(F)F
InChIInChI=1S/C14H15F6N3/c1-12(17,18)10-9(11(15)16)22-8(6-21-10)23-5-4-14(19,20)7-13(23)2-3-13/h6,11H,2-5,7H2,1H3
InChIKeyBKIYDRAGHRPOIG-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.29
Rot. Bonds3

About 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane

4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane (PubChem CID 178072897) has the molecular formula C14H15F6N3 and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
PubChem CID178072897
Molecular FormulaC14H15F6N3
Molecular Weight339.28 g/mol
Exact Mass339.12
IUPAC Name4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
SMILESCC(F)(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1C(F)F
InChIInChI=1S/C14H15F6N3/c1-12(17,18)10-9(11(15)16)22-8(6-21-10)23-5-4-14(19,20)7-13(23)2-3-13/h6,11H,2-5,7H2,1H3
InChIKeyBKIYDRAGHRPOIG-UHFFFAOYSA-N
XLogP4.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine
CID 178072686
4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
CID 178072822
1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
CID 178072932
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
CID 178073216
2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 86716011
[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
CID 178073006
2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
CID 130483737
2,3-ditert-butyl-5-(difluoromethyl)pyridine
CID 177260449
2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
CID 178072673
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The IUPAC name of 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane (CID 178072897) is 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane.
What is the SMILES notation for 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The canonical SMILES for 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane is CC(F)(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1C(F)F.
What is the InChIKey of 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The InChIKey is BKIYDRAGHRPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N3/c1-12(17,18)10-9(11(15)16)22-8(6-21-10)23-5-4-14(19,20)7-13(23)2-3-13/h6,11H,2-5,7H2,1H3.
What are the key properties of 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane has a molecular weight of 339.28 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane is sourced from PubChem (CID 178072897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).