2-[difluoro(phenyl)methyl]-3-phenoxypyrazine

C17H12F2N2O — CID 518221

IUPAC2-[difluoro(phenyl)methyl]-3-phenoxypyrazine
SMILESFC(F)(c1ccccc1)c1nccnc1Oc1ccccc1
InChIInChI=1S/C17H12F2N2O/c18-17(19,13-7-3-1-4-8-13)15-16(21-12-11-20-15)22-14-9-5-2-6-10-14/h1-12H
InChIKeyFTWUKTBCOJEGPG-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.41
Rot. Bonds4

About 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine

2-[difluoro(phenyl)methyl]-3-phenoxypyrazine (PubChem CID 518221) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]-3-phenoxypyrazine
PubChem CID518221
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name2-[difluoro(phenyl)methyl]-3-phenoxypyrazine
SMILESFC(F)(c1ccccc1)c1nccnc1Oc1ccccc1
InChIInChI=1S/C17H12F2N2O/c18-17(19,13-7-3-1-4-8-13)15-16(21-12-11-20-15)22-14-9-5-2-6-10-14/h1-12H
InChIKeyFTWUKTBCOJEGPG-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-phenoxypyrazine
CID 141210121
2-methyl-3-(3-phenoxyphenoxy)pyrazine
CID 518376
3,4-dichloro-2-phenoxypyridine
CID 154391527
3,4-dichloro-2-phenoxypyridine;gold(3+)
CID 175701779
2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride
CID 54366866
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
N,N-dimethyl-2-phenoxypyridin-3-amine
CID 157192591
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
6-[difluoro(phenyl)methyl]phenanthridine
CID 141426161
2,3-dipyridin-3-yloxypyrazine
CID 139072759
3-phenoxypyrazine-2-carboximidamide
CID 62683537
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine?
The IUPAC name of 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine (CID 518221) is 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine?
The canonical SMILES for 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine is FC(F)(c1ccccc1)c1nccnc1Oc1ccccc1.
What is the InChIKey of 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine?
The InChIKey is FTWUKTBCOJEGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-17(19,13-7-3-1-4-8-13)15-16(21-12-11-20-15)22-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine?
2-[difluoro(phenyl)methyl]-3-phenoxypyrazine has a molecular weight of 298.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phenyl)methyl]-3-phenoxypyrazine is sourced from PubChem (CID 518221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).