N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine

C12H20F3NO2 — CID 63335749

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
SMILESFC(F)(F)COC1CCCC(NC2CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-18-11-3-1-2-9(6-11)16-10-4-5-17-7-10/h9-11,16H,1-8H2
InChIKeyUZKCNSKJKQQJOA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine (PubChem CID 63335749) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
PubChem CID63335749
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
SMILESFC(F)(F)COC1CCCC(NC2CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-18-11-3-1-2-9(6-11)16-10-4-5-17-7-10/h9-11,16H,1-8H2
InChIKeyUZKCNSKJKQQJOA-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine (CID 63335749) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine is FC(F)(F)COC1CCCC(NC2CCOC2)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
The InChIKey is UZKCNSKJKQQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)8-18-11-3-1-2-9(6-11)16-10-4-5-17-7-10/h9-11,16H,1-8H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine has a molecular weight of 267.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 63335749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).