2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol

C10H18F3NO — CID 84735657

IUPAC2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol
SMILESCNCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-6-7-2-4-8(5-3-7)9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyXSESTZQLCUCENJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.94
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol

2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol (PubChem CID 84735657) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol
PubChem CID84735657
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol
SMILESCNCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-6-7-2-4-8(5-3-7)9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyXSESTZQLCUCENJ-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol (CID 84735657) is 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol is CNCC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol?
The InChIKey is XSESTZQLCUCENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-6-7-2-4-8(5-3-7)9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol?
2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol has a molecular weight of 225.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol is sourced from PubChem (CID 84735657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).