3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline

C12H10F3NOS — CID 154321178

IUPAC3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
SMILESCc1cc(N)ccc1Oc1sccc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c1-7-6-8(16)2-3-10(7)17-11-9(4-5-18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyOOLUQOBRFBFQJW-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.45
Rot. Bonds2

About 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline

3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline (PubChem CID 154321178) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline.

Molecular Properties

Compound Name3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
PubChem CID154321178
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline
SMILESCc1cc(N)ccc1Oc1sccc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c1-7-6-8(16)2-3-10(7)17-11-9(4-5-18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyOOLUQOBRFBFQJW-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
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 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The IUPAC name of 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline (CID 154321178) is 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline.
What is the SMILES notation for 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The canonical SMILES for 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline is Cc1cc(N)ccc1Oc1sccc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
The InChIKey is OOLUQOBRFBFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7-6-8(16)2-3-10(7)17-11-9(4-5-18-11)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline?
3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline has a molecular weight of 273.28 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(trifluoromethyl)thiophen-2-yl]oxyaniline is sourced from PubChem (CID 154321178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).