2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine

C13H19F3N2OS — CID 66385569

IUPAC2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c14-13(15,16)8-19-10-3-1-2-9(6-10)18-7-12-11(17)4-5-20-12/h4-5,9-10,18H,1-3,6-8,17H2
InChIKeySOAKCKSYQGSWRI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.31
Rot. Bonds5

About 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine

2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine (PubChem CID 66385569) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine
PubChem CID66385569
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2OS/c14-13(15,16)8-19-10-3-1-2-9(6-10)18-7-12-11(17)4-5-20-12/h4-5,9-10,18H,1-3,6-8,17H2
InChIKeySOAKCKSYQGSWRI-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine (CID 66385569) is 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine is Nc1ccsc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine?
The InChIKey is SOAKCKSYQGSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c14-13(15,16)8-19-10-3-1-2-9(6-10)18-7-12-11(17)4-5-20-12/h4-5,9-10,18H,1-3,6-8,17H2.
What are the key properties of 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine?
2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine has a molecular weight of 308.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).