2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

C14H12F3NS — CID 107524316

IUPAC2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C14H12F3NS/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7,13H,8,18H2
InChIKeyIWXCNIYYBMXURR-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.90
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine

2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (PubChem CID 107524316) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
PubChem CID107524316
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
SMILESNC(CSc1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C14H12F3NS/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7,13H,8,18H2
InChIKeyIWXCNIYYBMXURR-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62267773
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine (CID 107524316) is 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is NC(CSc1ccc(F)cc1F)c1cccc(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is IWXCNIYYBMXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7,13H,8,18H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine?
2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine has a molecular weight of 283.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 107524316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).