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

C13H20F2N2O — CID 114225935

IUPAC2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCCC(F)(F)C2)nn1C
InChIInChI=1S/C13H20F2N2O/c1-9-6-11(16-17(9)2)12(18)7-10-4-3-5-13(14,15)8-10/h6,10,12,18H,3-5,7-8H2,1-2H3
InChIKeySNGQWCGLTRAZIC-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.98
Rot. Bonds3

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

2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 114225935) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
PubChem CID114225935
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCCC(F)(F)C2)nn1C
InChIInChI=1S/C13H20F2N2O/c1-9-6-11(16-17(9)2)12(18)7-10-4-3-5-13(14,15)8-10/h6,10,12,18H,3-5,7-8H2,1-2H3
InChIKeySNGQWCGLTRAZIC-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.98
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-(1,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (CID 114225935) is 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)CC2CCCC(F)(F)C2)nn1C.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is SNGQWCGLTRAZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9-6-11(16-17(9)2)12(18)7-10-4-3-5-13(14,15)8-10/h6,10,12,18H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 258.31 g/mol, XLogP of 2.98, 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-(1,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114225935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).