(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone

C12H5ClF4N2O2 — CID 90039610

IUPAC(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)c(F)c1)c1nccnc1Cl
InChIInChI=1S/C12H5ClF4N2O2/c13-11-9(18-3-4-19-11)10(20)6-1-2-8(7(14)5-6)21-12(15,16)17/h1-5H
InChIKeyCOWORHPGBACCBZ-UHFFFAOYSA-N
MW320.63 g/mol
LogP3.40
Rot. Bonds3

About (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone

(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone (PubChem CID 90039610) has the molecular formula C12H5ClF4N2O2 and a molecular weight of 320.63 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone
PubChem CID90039610
Molecular FormulaC12H5ClF4N2O2
Molecular Weight320.63 g/mol
Exact Mass320.00
IUPAC Name(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)c(F)c1)c1nccnc1Cl
InChIInChI=1S/C12H5ClF4N2O2/c13-11-9(18-3-4-19-11)10(20)6-1-2-8(7(14)5-6)21-12(15,16)17/h1-5H
InChIKeyCOWORHPGBACCBZ-UHFFFAOYSA-N
XLogP3.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-one
CID 146009340
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
(3-chloropyrazin-2-yl)-(3-methoxyphenyl)methanone
CID 119085248
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 171367561
3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 56623025
[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 162509734
2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 171029091
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288361

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone (CID 90039610) is (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)c(F)c1)c1nccnc1Cl.
What is the InChIKey of (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is COWORHPGBACCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O2/c13-11-9(18-3-4-19-11)10(20)6-1-2-8(7(14)5-6)21-12(15,16)17/h1-5H.
What are the key properties of (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone?
(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 320.63 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 90039610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).