2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline

C12H12F3NOS — CID 67759550

IUPAC2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline
SMILESCC1(Oc2ccc(C(F)(F)F)cc2N)CC=CS1
InChIInChI=1S/C12H12F3NOS/c1-11(5-2-6-18-11)17-10-4-3-8(7-9(10)16)12(13,14)15/h2-4,6-7H,5,16H2,1H3
InChIKeyQVGMICBLXWRNSM-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.03
Rot. Bonds2

About 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline

2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline (PubChem CID 67759550) has the molecular formula C12H12F3NOS and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline
PubChem CID67759550
Molecular FormulaC12H12F3NOS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline
SMILESCC1(Oc2ccc(C(F)(F)F)cc2N)CC=CS1
InChIInChI=1S/C12H12F3NOS/c1-11(5-2-6-18-11)17-10-4-3-8(7-9(10)16)12(13,14)15/h2-4,6-7H,5,16H2,1H3
InChIKeyQVGMICBLXWRNSM-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.03
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 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline (CID 67759550) is 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline is CC1(Oc2ccc(C(F)(F)F)cc2N)CC=CS1.
What is the InChIKey of 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline?
The InChIKey is QVGMICBLXWRNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NOS/c1-11(5-2-6-18-11)17-10-4-3-8(7-9(10)16)12(13,14)15/h2-4,6-7H,5,16H2,1H3.
What are the key properties of 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline?
2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline has a molecular weight of 275.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 67759550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).