1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine

C11H15F2NS — CID 117334738

IUPAC1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine
SMILESCSc1ccc(CC(C)(C)N)c(F)c1F
InChIInChI=1S/C11H15F2NS/c1-11(2,14)6-7-4-5-8(15-3)10(13)9(7)12/h4-5H,6,14H2,1-3H3
InChIKeyLIAPZIKYOSCUHR-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.97
Rot. Bonds3

About 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine

1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine (PubChem CID 117334738) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine
PubChem CID117334738
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine
SMILESCSc1ccc(CC(C)(C)N)c(F)c1F
InChIInChI=1S/C11H15F2NS/c1-11(2,14)6-7-4-5-8(15-3)10(13)9(7)12/h4-5H,6,14H2,1-3H3
InChIKeyLIAPZIKYOSCUHR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine (CID 117334738) is 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine is CSc1ccc(CC(C)(C)N)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine?
The InChIKey is LIAPZIKYOSCUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-11(2,14)6-7-4-5-8(15-3)10(13)9(7)12/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine?
1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117334738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).