1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane

C12H17F4NOS — CID 143418271

IUPAC1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane
SMILESCOC.NC(CF)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H11F4NS.C2H6O/c11-6-8(15)5-7-1-3-9(4-2-7)16-10(12,13)14;1-3-2/h1-4,8H,5-6,15H2;1-2H3
InChIKeyQHQZWLORFFFAOX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.40
Rot. Bonds4

About 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane

1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane (PubChem CID 143418271) has the molecular formula C12H17F4NOS and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane.

Molecular Properties

Compound Name1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane
PubChem CID143418271
Molecular FormulaC12H17F4NOS
Molecular Weight299.33 g/mol
Exact Mass299.10
IUPAC Name1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane
SMILESCOC.NC(CF)Cc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H11F4NS.C2H6O/c11-6-8(15)5-7-1-3-9(4-2-7)16-10(12,13)14;1-3-2/h1-4,8H,5-6,15H2;1-2H3
InChIKeyQHQZWLORFFFAOX-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane?
The IUPAC name of 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane (CID 143418271) is 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane.
What is the SMILES notation for 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane?
The canonical SMILES for 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane is COC.NC(CF)Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane?
The InChIKey is QHQZWLORFFFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NS.C2H6O/c11-6-8(15)5-7-1-3-9(4-2-7)16-10(12,13)14;1-3-2/h1-4,8H,5-6,15H2;1-2H3.
What are the key properties of 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane?
1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane has a molecular weight of 299.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-2-amine;methoxymethane is sourced from PubChem (CID 143418271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).