N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine

C13H22F3NO2 — CID 43748960

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine
SMILESFC(F)(F)COC1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-19-12-3-1-2-11(8-12)17-10-4-6-18-7-5-10/h10-12,17H,1-9H2
InChIKeyOXXLTBDJYNVOMY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.65
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine (PubChem CID 43748960) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine
PubChem CID43748960
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine
SMILESFC(F)(F)COC1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)9-19-12-3-1-2-11(8-12)17-10-4-6-18-7-5-10/h10-12,17H,1-9H2
InChIKeyOXXLTBDJYNVOMY-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.65
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]oxan-4-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine (CID 43748960) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine is FC(F)(F)COC1CCCC(NC2CCOCC2)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine?
The InChIKey is OXXLTBDJYNVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)9-19-12-3-1-2-11(8-12)17-10-4-6-18-7-5-10/h10-12,17H,1-9H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxan-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.65, 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]oxan-4-amine is sourced from PubChem (CID 43748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).