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

C13H13ClF3N3 — CID 178072822

IUPAC4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
SMILESC=C(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1Cl
InChIInChI=1S/C13H13ClF3N3/c1-8(15)10-11(14)19-9(6-18-10)20-5-4-13(16,17)7-12(20)2-3-12/h6H,1-5,7H2
InChIKeyCAKCHBPCMWIKFX-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.84
Rot. Bonds2

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

4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane (PubChem CID 178072822) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane.

Molecular Properties

Compound Name4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
PubChem CID178072822
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
SMILESC=C(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1Cl
InChIInChI=1S/C13H13ClF3N3/c1-8(15)10-11(14)19-9(6-18-10)20-5-4-13(16,17)7-12(20)2-3-12/h6H,1-5,7H2
InChIKeyCAKCHBPCMWIKFX-UHFFFAOYSA-N
XLogP3.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
CID 178072897
5-(7,7-difluoro-4-azaspiro[2.5]octan-4-yl)-1-(2,2-difluoroethyl)triazolo[4,5-b]pyrazine
CID 178072686
1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
CID 178072932
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
CID 131075383
3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
CID 178073216
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
5-bromo-1-chloro-3-(4,4-difluoropiperidin-1-yl)-7-methylisoquinoline
CID 178041124
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
CID 171542202
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976272
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 131116353
6,7-dichloro-3-(4,4-difluoroazepan-1-yl)quinoxaline-2-carboxylic acid
CID 169264551

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The IUPAC name of 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane (CID 178072822) is 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane.
What is the SMILES notation for 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The canonical SMILES for 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane is C=C(F)c1ncc(N2CCC(F)(F)CC23CC3)nc1Cl.
What is the InChIKey of 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
The InChIKey is CAKCHBPCMWIKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-8(15)10-11(14)19-9(6-18-10)20-5-4-13(16,17)7-12(20)2-3-12/h6H,1-5,7H2.
What are the key properties of 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane?
4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane has a molecular weight of 303.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane is sourced from PubChem (CID 178072822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).