2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide

C10H11F3N2OS — CID 43134935

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(C(F)(F)F)cc1N)C(N)=O
InChIInChI=1S/C10H11F3N2OS/c1-5(9(15)16)17-8-3-2-6(4-7(8)14)10(11,12)13/h2-5H,14H2,1H3,(H2,15,16)
InChIKeyDKCJBZJXMOBDPD-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.25
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 43134935) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID43134935
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(C(F)(F)F)cc1N)C(N)=O
InChIInChI=1S/C10H11F3N2OS/c1-5(9(15)16)17-8-3-2-6(4-7(8)14)10(11,12)13/h2-5H,14H2,1H3,(H2,15,16)
InChIKeyDKCJBZJXMOBDPD-UHFFFAOYSA-N
XLogP2.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 43134935) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(Sc1ccc(C(F)(F)F)cc1N)C(N)=O.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is DKCJBZJXMOBDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-5(9(15)16)17-8-3-2-6(4-7(8)14)10(11,12)13/h2-5H,14H2,1H3,(H2,15,16).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 264.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 43134935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).