2-(2,4-difluorophenyl)sulfanylethanamine

C8H9F2NS — CID 43345434

IUPAC2-(2,4-difluorophenyl)sulfanylethanamine
SMILESNCCSc1ccc(F)cc1F
InChIInChI=1S/C8H9F2NS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyJJSHDGLWBKDDHE-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.02
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanylethanamine

2-(2,4-difluorophenyl)sulfanylethanamine (PubChem CID 43345434) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylethanamine
PubChem CID43345434
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name2-(2,4-difluorophenyl)sulfanylethanamine
SMILESNCCSc1ccc(F)cc1F
InChIInChI=1S/C8H9F2NS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4,11H2
InChIKeyJJSHDGLWBKDDHE-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethylsulfanyl)-3-fluoroaniline
CID 61320399
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
N-[2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 61385821
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176
4-(2,4-difluorophenyl)sulfanyl-2,2-dimethylbutanoic acid
CID 65253692
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylethanamine (CID 43345434) is 2-(2,4-difluorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylethanamine is NCCSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylethanamine?
The InChIKey is JJSHDGLWBKDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanylethanamine?
2-(2,4-difluorophenyl)sulfanylethanamine has a molecular weight of 189.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylethanamine is sourced from PubChem (CID 43345434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).