1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one

C10H8ClF4N3O — CID 178072932

IUPAC1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
SMILESO=C1CC(F)(F)CCN1c1cnc(C(F)F)c(Cl)n1
InChIInChI=1S/C10H8ClF4N3O/c11-8-7(9(12)13)16-4-5(17-8)18-2-1-10(14,15)3-6(18)19/h4,9H,1-3H2
InChIKeyXCRVMVWWGWIBBF-UHFFFAOYSA-N
MW297.64 g/mol
LogP2.83
Rot. Bonds2

About 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one

1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one (PubChem CID 178072932) has the molecular formula C10H8ClF4N3O and a molecular weight of 297.64 g/mol. Its IUPAC name is 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one.

Molecular Properties

Compound Name1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
PubChem CID178072932
Molecular FormulaC10H8ClF4N3O
Molecular Weight297.64 g/mol
Exact Mass297.03
IUPAC Name1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one
SMILESO=C1CC(F)(F)CCN1c1cnc(C(F)F)c(Cl)n1
InChIInChI=1S/C10H8ClF4N3O/c11-8-7(9(12)13)16-4-5(17-8)18-2-1-10(14,15)3-6(18)19/h4,9H,1-3H2
InChIKeyXCRVMVWWGWIBBF-UHFFFAOYSA-N
XLogP2.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one 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

3-chloro-2-(difluoromethyl)-5-(3,4,4-trifluoropiperidin-1-yl)pyrazine
CID 178073216
6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-6-azaspiro[2.5]octane-8-carbonitrile
CID 178072931
4-[5-(1,1-difluoroethyl)-6-(difluoromethyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
CID 178072897
6-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-3-fluoropyridin-2-amine
CID 178073535
4-[6-chloro-5-(1-fluoroethenyl)pyrazin-2-yl]-7,7-difluoro-4-azaspiro[2.5]octane
CID 178072822
[6-(8,8-difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
CID 178073006
3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine
CID 167974869
3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
CID 178073048
5-chloro-3-(difluoromethyl)pyrazin-2-amine
CID 118609708
5-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130094579
methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694974
5-(2-chloro-5-fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 172581443

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one?
The IUPAC name of 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one (CID 178072932) is 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one.
What is the SMILES notation for 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one?
The canonical SMILES for 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one is O=C1CC(F)(F)CCN1c1cnc(C(F)F)c(Cl)n1.
What is the InChIKey of 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one?
The InChIKey is XCRVMVWWGWIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4N3O/c11-8-7(9(12)13)16-4-5(17-8)18-2-1-10(14,15)3-6(18)19/h4,9H,1-3H2.
What are the key properties of 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one?
1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one has a molecular weight of 297.64 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-(difluoromethyl)pyrazin-2-yl]-4,4-difluoropiperidin-2-one is sourced from PubChem (CID 178072932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).