N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine

C11H20F3NOS — CID 83196729

IUPACN-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
SMILESCCCNC1CSCC1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-4-15-10-7-17-6-9(10)3-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyAAUGRICEEZNVND-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.69
Rot. Bonds7

About N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine

N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine (PubChem CID 83196729) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
PubChem CID83196729
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC NameN-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
SMILESCCCNC1CSCC1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-4-15-10-7-17-6-9(10)3-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyAAUGRICEEZNVND-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine?
The IUPAC name of N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine (CID 83196729) is N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine?
The canonical SMILES for N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine is CCCNC1CSCC1CCOCC(F)(F)F.
What is the InChIKey of N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine?
The InChIKey is AAUGRICEEZNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-2-4-15-10-7-17-6-9(10)3-5-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine?
N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine has a molecular weight of 271.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 83196729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).