3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

C16H16ClF3N2O2 — CID 25252757

IUPAC3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCOc1ccc(C(C)C(O)(c2cnc(C)cn2)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H16ClF3N2O2/c1-9-7-22-14(8-21-9)15(23,16(18,19)20)10(2)12-5-4-11(24-3)6-13(12)17/h4-8,10,23H,1-3H3
InChIKeyWSWPCCUAOMUROW-UHFFFAOYSA-N
MW360.76 g/mol
LogP4.00
Rot. Bonds4

About 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (PubChem CID 25252757) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
PubChem CID25252757
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCOc1ccc(C(C)C(O)(c2cnc(C)cn2)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H16ClF3N2O2/c1-9-7-22-14(8-21-9)15(23,16(18,19)20)10(2)12-5-4-11(24-3)6-13(12)17/h4-8,10,23H,1-3H3
InChIKeyWSWPCCUAOMUROW-UHFFFAOYSA-N
XLogP4.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloropyrazin-3-yl 4-methoxyphenyl methanol
CID 21592995
2-Methyl-1-pyrazin-2-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 13727987
3-Methyl-1-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 20345991
1-Pyrazin-2-yl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 20345992
Cyclobutyl-pyrazin-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 20345993
Pyrazin-2-yl-[4-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanol
CID 20345994
2-[1-Chloro-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazine
CID 20345998
1-Pyrazin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 20346000
1-[4-(1,1,2,2,2-Pentafluoroethoxy)phenyl]-1-pyrazin-2-ylpropan-1-ol
CID 20346004
2-[Cyclobutyl-methoxy-[4-(trifluoromethoxy)phenyl]methyl]pyrazine
CID 20346009
2-Methyl-1-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 20346016
(2-Chlorophenyl)-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-pyrazin-2-ylmethanol
CID 20346022

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (CID 25252757) is 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is COc1ccc(C(C)C(O)(c2cnc(C)cn2)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The InChIKey is WSWPCCUAOMUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c1-9-7-22-14(8-21-9)15(23,16(18,19)20)10(2)12-5-4-11(24-3)6-13(12)17/h4-8,10,23H,1-3H3.
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol has a molecular weight of 360.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 25252757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).