2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

C10H12ClF2N3O — CID 121204118

IUPAC2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCOCC1CC(F)(F)CN1c1nccnc1Cl
InChIInChI=1S/C10H12ClF2N3O/c1-17-5-7-4-10(12,13)6-16(7)9-8(11)14-2-3-15-9/h2-3,7H,4-6H2,1H3
InChIKeyRAPQQOKVRYOEAE-UHFFFAOYSA-N
MW263.67 g/mol
LogP1.99
Rot. Bonds3

About 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 121204118) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
PubChem CID121204118
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.67 g/mol
Exact Mass263.06
IUPAC Name2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCOCC1CC(F)(F)CN1c1nccnc1Cl
InChIInChI=1S/C10H12ClF2N3O/c1-17-5-7-4-10(12,13)6-16(7)9-8(11)14-2-3-15-9/h2-3,7H,4-6H2,1H3
InChIKeyRAPQQOKVRYOEAE-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(3-Chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl)methanol
CID 121204085
[(2S)-1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129500349
[(2R)-1-(3-chloropyrazin-2-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129500350
2-chloro-3-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 129502115
2-chloro-3-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 129502116
2-Chloro-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 86649009
2-[2-(Methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 123622741
2-Chloro-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazine;2,6-dichloropyrazine
CID 158311700
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 176306672
5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 176306697
3-chloro-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 61696373
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)pyrazin-2-amine
CID 61696606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (CID 121204118) is 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is COCC1CC(F)(F)CN1c1nccnc1Cl.
What is the InChIKey of 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is RAPQQOKVRYOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-17-5-7-4-10(12,13)6-16(7)9-8(11)14-2-3-15-9/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 263.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 121204118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).