3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one

C8H10ClF2N3O — CID 107490132

IUPAC3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCCl)CC(F)F
InChIInChI=1S/C8H10ClF2N3O/c9-1-4-14(5-6(10)11)7-8(15)13-3-2-12-7/h2-3,6H,1,4-5H2,(H,13,15)
InChIKeyBJBDFBFZXJMVEU-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.08
Rot. Bonds5

About 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one

3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one (PubChem CID 107490132) has the molecular formula C8H10ClF2N3O and a molecular weight of 237.64 g/mol. Its IUPAC name is 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
PubChem CID107490132
Molecular FormulaC8H10ClF2N3O
Molecular Weight237.64 g/mol
Exact Mass237.05
IUPAC Name3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCCl)CC(F)F
InChIInChI=1S/C8H10ClF2N3O/c9-1-4-14(5-6(10)11)7-8(15)13-3-2-12-7/h2-3,6H,1,4-5H2,(H,13,15)
InChIKeyBJBDFBFZXJMVEU-UHFFFAOYSA-N
XLogP1.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107490116
3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one
CID 102871693
3-[2-chloroethyl(cyclopropyl)amino]-1H-pyrazin-2-one
CID 114571335
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine
CID 107490070
3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
CID 107489974
3-[butyl(ethyl)amino]-1H-pyrazin-2-one
CID 115656884
3-[ethyl(2-methoxyethyl)amino]-1H-pyrazin-2-one
CID 115657183
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489921
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
3-(4-chlorobutan-2-ylsulfanyl)-1H-pyrazin-2-one
CID 114570888
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one (CID 107490132) is 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1N(CCCl)CC(F)F.
What is the InChIKey of 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one?
The InChIKey is BJBDFBFZXJMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3O/c9-1-4-14(5-6(10)11)7-8(15)13-3-2-12-7/h2-3,6H,1,4-5H2,(H,13,15).
What are the key properties of 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one?
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one has a molecular weight of 237.64 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 107490132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).