N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine

C8H10ClF2N3 — CID 103054399

IUPACN-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)cn1)CC(F)F
InChIInChI=1S/C8H10ClF2N3/c1-14(5-8(10)11)4-6-2-13-7(9)3-12-6/h2-3,8H,4-5H2,1H3
InChIKeyWWAQXGGGRDVWKU-UHFFFAOYSA-N
MW221.64 g/mol
LogP1.83
Rot. Bonds4

About N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine

N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 103054399) has the molecular formula C8H10ClF2N3 and a molecular weight of 221.64 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID103054399
Molecular FormulaC8H10ClF2N3
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)cn1)CC(F)F
InChIInChI=1S/C8H10ClF2N3/c1-14(5-8(10)11)4-6-2-13-7(9)3-12-6/h2-3,8H,4-5H2,1H3
InChIKeyWWAQXGGGRDVWKU-UHFFFAOYSA-N
XLogP1.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-methylpyrazine
CID 7170095
2-Chloro-5-methylpyrazine
CID 12600386
2-Chloro-5-(trifluoromethyl)pyrazine
CID 18987645
2-Chloro-6-(trifluoromethyl)pyrazine
CID 20361694
(5-Chloropyrazin-2-yl)methanamine
CID 21714700
2-Chloro-5-(difluoromethyl)pyrazine
CID 84651993
2-Chloro-6-(1,1-difluoroethyl)pyrazine
CID 137526084
3,5-Dichloro-2-(trifluoromethyl)pyrazine
CID 46847209
2-Chloro-5-(1,1-difluoro-ethyl)-pyrazine
CID 122402914
2-(Chloromethyl)-5-(trifluoromethyl)pyrazine
CID 21698256
2-Chloro-6-(2,2,2-trifluoroethyl)pyrazine
CID 53676086
2-Chloro-6-(difluoromethyl)pyrazine
CID 84651994

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine (CID 103054399) is N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1cnc(Cl)cn1)CC(F)F.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is WWAQXGGGRDVWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3/c1-14(5-8(10)11)4-6-2-13-7(9)3-12-6/h2-3,8H,4-5H2,1H3.
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 221.64 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).