2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol

C13H18F2N2O — CID 114225930

IUPAC2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(O)CC2CCCC(F)(F)C2)cn1
InChIInChI=1S/C13H18F2N2O/c1-9-7-17-11(8-16-9)12(18)5-10-3-2-4-13(14,15)6-10/h7-8,10,12,18H,2-6H2,1H3
InChIKeyAXDVZRQKNNNDDV-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.03
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol

2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol (PubChem CID 114225930) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol
PubChem CID114225930
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(O)CC2CCCC(F)(F)C2)cn1
InChIInChI=1S/C13H18F2N2O/c1-9-7-17-11(8-16-9)12(18)5-10-3-2-4-13(14,15)6-10/h7-8,10,12,18H,2-6H2,1H3
InChIKeyAXDVZRQKNNNDDV-UHFFFAOYSA-N
XLogP3.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol (CID 114225930) is 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol is Cc1cnc(C(O)CC2CCCC(F)(F)C2)cn1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol?
The InChIKey is AXDVZRQKNNNDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9-7-17-11(8-16-9)12(18)5-10-3-2-4-13(14,15)6-10/h7-8,10,12,18H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol?
2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol has a molecular weight of 256.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(5-methylpyrazin-2-yl)ethanol is sourced from PubChem (CID 114225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).