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

C12H20F3NOS — CID 43748965

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine
SMILESFC(F)(F)COC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)8-17-11-3-1-2-9(6-11)16-10-4-5-18-7-10/h9-11,16H,1-8H2
InChIKeyPPQIJILDKCPQIJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.97
Rot. Bonds4

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

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine (PubChem CID 43748965) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine
PubChem CID43748965
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine
SMILESFC(F)(F)COC1CCCC(NC2CCSC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)8-17-11-3-1-2-9(6-11)16-10-4-5-18-7-10/h9-11,16H,1-8H2
InChIKeyPPQIJILDKCPQIJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.97
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]thiolan-3-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine (CID 43748965) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine is FC(F)(F)COC1CCCC(NC2CCSC2)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine?
The InChIKey is PPQIJILDKCPQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c13-12(14,15)8-17-11-3-1-2-9(6-11)16-10-4-5-18-7-10/h9-11,16H,1-8H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiolan-3-amine has a molecular weight of 283.36 g/mol, XLogP of 2.97, 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]thiolan-3-amine is sourced from PubChem (CID 43748965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).