2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol

C12H23F2NO — CID 107485654

IUPAC2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol
SMILESCC1CC(C)CC(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-9-5-10(2)7-11(6-9)15(3-4-16)8-12(13)14/h9-12,16H,3-8H2,1-2H3
InChIKeyAKSWSEXWCFGWAO-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.37
Rot. Bonds5

About 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol

2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol (PubChem CID 107485654) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol
PubChem CID107485654
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol
SMILESCC1CC(C)CC(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-9-5-10(2)7-11(6-9)15(3-4-16)8-12(13)14/h9-12,16H,3-8H2,1-2H3
InChIKeyAKSWSEXWCFGWAO-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol (CID 107485654) is 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol is CC1CC(C)CC(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol?
The InChIKey is AKSWSEXWCFGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-9-5-10(2)7-11(6-9)15(3-4-16)8-12(13)14/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol?
2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol has a molecular weight of 235.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(3,5-dimethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 107485654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).