2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine

C13H17F2NS — CID 107166921

IUPAC2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESFC(F)(CNCC1CCSC1)c1ccccc1
InChIInChI=1S/C13H17F2NS/c14-13(15,12-4-2-1-3-5-12)10-16-8-11-6-7-17-9-11/h1-5,11,16H,6-10H2
InChIKeyQOKDFYLAQHJZTE-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.12
Rot. Bonds5

About 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine

2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166921) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166921
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESFC(F)(CNCC1CCSC1)c1ccccc1
InChIInChI=1S/C13H17F2NS/c14-13(15,12-4-2-1-3-5-12)10-16-8-11-6-7-17-9-11/h1-5,11,16H,6-10H2
InChIKeyQOKDFYLAQHJZTE-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylthiazolidine
CID 20706
2-Phenylthiomorpholine
CID 5004199
N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
Ethanethiol, 2-phenethylamino-
CID 96656
5-Methyl-2-phenylthiazolidine
CID 576329
2-Methyl-2-phenylthiazolidine
CID 120795
Thiazolidine, 2-(2-phenylethyl)-
CID 3043137
Thiazolidine, 2-(p-fluorophenyl)-
CID 3050852
Thiazolidine, 2-methyl-2-(4-phenyl-3-butenyl)-, (E)-
CID 6447465
Thiazolidine, 2-methyl-2-(phenylmethyl)-
CID 120796
Ethanethiol, 2-((3-phenylpropyl)amino)-
CID 201898
2-Ethyl-2-phenyl-1,3-thiazolidine
CID 208012

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine (CID 107166921) is 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine is FC(F)(CNCC1CCSC1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is QOKDFYLAQHJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c14-13(15,12-4-2-1-3-5-12)10-16-8-11-6-7-17-9-11/h1-5,11,16H,6-10H2.
What are the key properties of 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine?
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).