2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine

C13H23F2NS — CID 114225783

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1CCSC1
InChIInChI=1S/C13H23F2NS/c1-2-16-12(11-4-6-17-9-11)7-10-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyXXBSGJCQNLASDH-UHFFFAOYSA-N
MW263.40 g/mol
LogP3.54
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine (PubChem CID 114225783) has the molecular formula C13H23F2NS and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine
PubChem CID114225783
Molecular FormulaC13H23F2NS
Molecular Weight263.40 g/mol
Exact Mass263.15
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1CCSC1
InChIInChI=1S/C13H23F2NS/c1-2-16-12(11-4-6-17-9-11)7-10-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyXXBSGJCQNLASDH-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine (CID 114225783) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)C1CCSC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The InChIKey is XXBSGJCQNLASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NS/c1-2-16-12(11-4-6-17-9-11)7-10-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 114225783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).