1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

C11H15F2NS — CID 116839434

IUPAC1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCSc1ccc(C(F)(F)C(C)(C)N)cc1
InChIInChI=1S/C11H15F2NS/c1-10(2,14)11(12,13)8-4-6-9(15-3)7-5-8/h4-7H,14H2,1-3H3
InChIKeyPHVMZRUQFXARMN-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.24
Rot. Bonds3

About 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (PubChem CID 116839434) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
PubChem CID116839434
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCSc1ccc(C(F)(F)C(C)(C)N)cc1
InChIInChI=1S/C11H15F2NS/c1-10(2,14)11(12,13)8-4-6-9(15-3)7-5-8/h4-7H,14H2,1-3H3
InChIKeyPHVMZRUQFXARMN-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (CID 116839434) is 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is CSc1ccc(C(F)(F)C(C)(C)N)cc1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is PHVMZRUQFXARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-10(2,14)11(12,13)8-4-6-9(15-3)7-5-8/h4-7H,14H2,1-3H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 116839434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).