2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine

C12H9F3N2 — CID 175294439

IUPAC2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
SMILESFc1ccc(Cc2cnccn2)cc1C(F)F
InChIInChI=1S/C12H9F3N2/c13-11-2-1-8(6-10(11)12(14)15)5-9-7-16-3-4-17-9/h1-4,6-7,12H,5H2
InChIKeyATUURLHXQZHUPM-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.14
Rot. Bonds3

About 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine

2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine (PubChem CID 175294439) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
PubChem CID175294439
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine
SMILESFc1ccc(Cc2cnccn2)cc1C(F)F
InChIInChI=1S/C12H9F3N2/c13-11-2-1-8(6-10(11)12(14)15)5-9-7-16-3-4-17-9/h1-4,6-7,12H,5H2
InChIKeyATUURLHXQZHUPM-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
CID 175294527
1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 162541274
2-(pyrazin-2-ylmethyl)phenol
CID 67682794
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
2-[(3,4-difluorophenyl)methoxy]pyrazine
CID 126954833
2-chloro-3-(pyrazin-2-ylmethyl)benzenethiol
CID 165043263
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977
[3-fluoro-4-(1-pyrazin-2-ylethoxy)phenyl]methanamine
CID 117096809
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 58521779
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
CID 122142133
2-[2-(4-methylphenyl)ethyl]pyrazine
CID 141390825

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine?
The IUPAC name of 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine (CID 175294439) is 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine.
What is the SMILES notation for 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine?
The canonical SMILES for 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine is Fc1ccc(Cc2cnccn2)cc1C(F)F.
What is the InChIKey of 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine?
The InChIKey is ATUURLHXQZHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-11-2-1-8(6-10(11)12(14)15)5-9-7-16-3-4-17-9/h1-4,6-7,12H,5H2.
What are the key properties of 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine?
2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine has a molecular weight of 238.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-4-fluorophenyl]methyl]pyrazine is sourced from PubChem (CID 175294439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).