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

C12H22F3NO — CID 107485883

IUPAC2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1CC(C)CC(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)16(3-4-17)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyCTTRWDKVQGNWLV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds4

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

2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485883) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485883
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC1CC(C)CC(N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)16(3-4-17)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyCTTRWDKVQGNWLV-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485883) is 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol is CC1CC(C)CC(N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CTTRWDKVQGNWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)16(3-4-17)8-12(13,14)15/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).