6-(trifluoromethyl)-1-benzothiophen-3-amine

C9H6F3NS — CID 19360208

IUPAC6-(trifluoromethyl)-1-benzothiophen-3-amine
SMILESNc1csc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-4H,13H2
InChIKeySJOOKFNHLSDUQD-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.50
Rot. Bonds

About 6-(trifluoromethyl)-1-benzothiophen-3-amine

6-(trifluoromethyl)-1-benzothiophen-3-amine (PubChem CID 19360208) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1-benzothiophen-3-amine
PubChem CID19360208
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name6-(trifluoromethyl)-1-benzothiophen-3-amine
SMILESNc1csc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-4H,13H2
InChIKeySJOOKFNHLSDUQD-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1-benzothiophen-3-amine?
The IUPAC name of 6-(trifluoromethyl)-1-benzothiophen-3-amine (CID 19360208) is 6-(trifluoromethyl)-1-benzothiophen-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-1-benzothiophen-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-1-benzothiophen-3-amine is Nc1csc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 6-(trifluoromethyl)-1-benzothiophen-3-amine?
The InChIKey is SJOOKFNHLSDUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-4H,13H2.
What are the key properties of 6-(trifluoromethyl)-1-benzothiophen-3-amine?
6-(trifluoromethyl)-1-benzothiophen-3-amine has a molecular weight of 217.22 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1-benzothiophen-3-amine is sourced from PubChem (CID 19360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).