pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol

C12H15F3N2O — CID 105099125

IUPACpyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cnccn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-2-1-3-8(9)11(18)10-7-16-5-6-17-10/h5-9,11,18H,1-4H2
InChIKeyAUVUSSAYDQSNJA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.88
Rot. Bonds2

About pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol

pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105099125) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105099125
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Namepyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cnccn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-2-1-3-8(9)11(18)10-7-16-5-6-17-10/h5-9,11,18H,1-4H2
InChIKeyAUVUSSAYDQSNJA-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105099125) is pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol is OC(c1cnccn1)C1CCCCC1C(F)(F)F.
What is the InChIKey of pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is AUVUSSAYDQSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-4-2-1-3-8(9)11(18)10-7-16-5-6-17-10/h5-9,11,18H,1-4H2.
What are the key properties of pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol?
pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105099125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).