N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine

C8H15F2NOS — CID 103082627

IUPACN-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine
SMILESFC(F)COCCNC1CCSC1
InChIInChI=1S/C8H15F2NOS/c9-8(10)5-12-3-2-11-7-1-4-13-6-7/h7-8,11H,1-6H2
InChIKeyFNCYJUJUEOAHES-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine

N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine (PubChem CID 103082627) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine
PubChem CID103082627
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine
SMILESFC(F)COCCNC1CCSC1
InChIInChI=1S/C8H15F2NOS/c9-8(10)5-12-3-2-11-7-1-4-13-6-7/h7-8,11H,1-6H2
InChIKeyFNCYJUJUEOAHES-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.36
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-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine (CID 103082627) is N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine is FC(F)COCCNC1CCSC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine?
The InChIKey is FNCYJUJUEOAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c9-8(10)5-12-3-2-11-7-1-4-13-6-7/h7-8,11H,1-6H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine?
N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine has a molecular weight of 211.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 103082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).