2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine

C11H15F2NS — CID 84794695

IUPAC2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(SCC(F)F)cc1
InChIInChI=1S/C11H15F2NS/c1-11(2,14)8-3-5-9(6-4-8)15-7-10(12)13/h3-6,10H,7,14H2,1-2H3
InChIKeyZMDVJEWLNROFTA-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.24
Rot. Bonds4

About 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine

2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine (PubChem CID 84794695) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine
PubChem CID84794695
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(SCC(F)F)cc1
InChIInChI=1S/C11H15F2NS/c1-11(2,14)8-3-5-9(6-4-8)15-7-10(12)13/h3-6,10H,7,14H2,1-2H3
InChIKeyZMDVJEWLNROFTA-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine (CID 84794695) is 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(SCC(F)F)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine?
The InChIKey is ZMDVJEWLNROFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-11(2,14)8-3-5-9(6-4-8)15-7-10(12)13/h3-6,10H,7,14H2,1-2H3.
What are the key properties of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine?
2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]propan-2-amine is sourced from PubChem (CID 84794695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).