2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol

C14H26F3NO — CID 104575782

IUPAC2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-6-4-10(5-7-11)12(8-19)18-9-14(15,16)17/h10-12,18-19H,4-9H2,1-3H3
InChIKeyGOKXMALZTWSYSV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 104575782) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID104575782
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-6-4-10(5-7-11)12(8-19)18-9-14(15,16)17/h10-12,18-19H,4-9H2,1-3H3
InChIKeyGOKXMALZTWSYSV-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 104575782) is 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol is CC(C)(C)C1CCC(C(CO)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is GOKXMALZTWSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,3)11-6-4-10(5-7-11)12(8-19)18-9-14(15,16)17/h10-12,18-19H,4-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 281.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 104575782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).