1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol

C12H20F3NO — CID 64754479

IUPAC1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOC(CNC1CCC(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-7-11(17)8-1-2-8/h8-11,16-17H,1-7H2
InChIKeyIBQFGCYOZUEYOT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.47
Rot. Bonds4

About 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol

1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol (PubChem CID 64754479) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol
PubChem CID64754479
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOC(CNC1CCC(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-7-11(17)8-1-2-8/h8-11,16-17H,1-7H2
InChIKeyIBQFGCYOZUEYOT-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol (CID 64754479) is 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol is OC(CNC1CCC(C(F)(F)F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol?
The InChIKey is IBQFGCYOZUEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-7-11(17)8-1-2-8/h8-11,16-17H,1-7H2.
What are the key properties of 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol?
1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol has a molecular weight of 251.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 64754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).