3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol

C16H17F3N2O2 — CID 70511532

IUPAC3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1cnccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O2/c1-11(2)15(22,9-13-10-20-7-8-21-13)12-3-5-14(6-4-12)23-16(17,18)19/h3-8,10-11,22H,9H2,1-2H3
InChIKeyANBUKPOYRZCYAD-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.46
Rot. Bonds5

About 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol

3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol (PubChem CID 70511532) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
PubChem CID70511532
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1cnccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O2/c1-11(2)15(22,9-13-10-20-7-8-21-13)12-3-5-14(6-4-12)23-16(17,18)19/h3-8,10-11,22H,9H2,1-2H3
InChIKeyANBUKPOYRZCYAD-UHFFFAOYSA-N
XLogP3.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1-pyrazin-2-ylbutan-2-ol
CID 88721392
3-methyl-1-pyrimidin-5-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 70510380
1-cyclohexyl-2-pyrazin-2-yl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 88721898
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
pyridin-4-yl-bis[4-(trifluoromethoxy)phenyl]methanol;hydrochloride
CID 19040918
3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
CID 118443718
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
propan-2-ol;trifluoromethoxybenzene
CID 161029707
4-(3-hydroxy-2-methyl-4-pyrazin-2-ylbutan-2-yl)oxybenzonitrile
CID 19895613
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine
CID 123427876

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol (CID 70511532) is 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol is CC(C)C(O)(Cc1cnccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol?
The InChIKey is ANBUKPOYRZCYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-11(2)15(22,9-13-10-20-7-8-21-13)12-3-5-14(6-4-12)23-16(17,18)19/h3-8,10-11,22H,9H2,1-2H3.
What are the key properties of 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol?
3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol has a molecular weight of 326.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazin-2-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 70511532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).