3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol

C9H8F6N2O2 — CID 103312623

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
SMILESCOc1nccnc1C(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-19-7-4(16-2-3-17-7)5(18)6(8(10,11)12)9(13,14)15/h2-3,5-6,18H,1H3
InChIKeyANFQTZXATHFVNQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.26
Rot. Bonds3

About 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312623) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
PubChem CID103312623
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
SMILESCOc1nccnc1C(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-19-7-4(16-2-3-17-7)5(18)6(8(10,11)12)9(13,14)15/h2-3,5-6,18H,1H3
InChIKeyANFQTZXATHFVNQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
2-(1-Hydroxy-1-methylethyl)-3-methoxypyrazine
CID 91666000
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
[6-(4,4-Difluoropiperidin-3-yl)-3-methoxypyrazin-2-yl]methanol
CID 176264646
1-(5-Fluoro-3-methoxypyrazin-2-yl)ethanol
CID 11816126
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147418
3-(2,2-Difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
1-(3-Methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217071
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
1-(3-Methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474004

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol (CID 103312623) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol is COc1nccnc1C(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol?
The InChIKey is ANFQTZXATHFVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c1-19-7-4(16-2-3-17-7)5(18)6(8(10,11)12)9(13,14)15/h2-3,5-6,18H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol has a molecular weight of 290.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).