[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol

C12H20F3NO2 — CID 79640577

IUPAC[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-18-10-2-1-5-11(6-10,7-17)16-9-3-4-9/h9-10,16-17H,1-8H2
InChIKeyCFYLZPJGEHHMTL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.99
Rot. Bonds5

About [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (PubChem CID 79640577) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
PubChem CID79640577
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-18-10-2-1-5-11(6-10,7-17)16-9-3-4-9/h9-10,16-17H,1-8H2
InChIKeyCFYLZPJGEHHMTL-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (CID 79640577) is [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(OCC(F)(F)F)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The InChIKey is CFYLZPJGEHHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)8-18-10-2-1-5-11(6-10,7-17)16-9-3-4-9/h9-10,16-17H,1-8H2.
What are the key properties of [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol has a molecular weight of 267.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).