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

C9H6F3NS — CID 19360227

IUPAC5-(trifluoromethyl)-1-benzothiophen-3-amine
SMILESNc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-8-6(3-5)7(13)4-14-8/h1-4H,13H2
InChIKeyZSBLDMVDYCTMOQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.50
Rot. Bonds

About 5-(trifluoromethyl)-1-benzothiophen-3-amine

5-(trifluoromethyl)-1-benzothiophen-3-amine (PubChem CID 19360227) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1-benzothiophen-3-amine
PubChem CID19360227
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name5-(trifluoromethyl)-1-benzothiophen-3-amine
SMILESNc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-8-6(3-5)7(13)4-14-8/h1-4H,13H2
InChIKeyZSBLDMVDYCTMOQ-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 5-(trifluoromethyl)-1-benzothiophen-3-amine?
The IUPAC name of 5-(trifluoromethyl)-1-benzothiophen-3-amine (CID 19360227) is 5-(trifluoromethyl)-1-benzothiophen-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1-benzothiophen-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-1-benzothiophen-3-amine is Nc1csc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 5-(trifluoromethyl)-1-benzothiophen-3-amine?
The InChIKey is ZSBLDMVDYCTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-9(11,12)5-1-2-8-6(3-5)7(13)4-14-8/h1-4H,13H2.
What are the key properties of 5-(trifluoromethyl)-1-benzothiophen-3-amine?
5-(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 5-(trifluoromethyl)-1-benzothiophen-3-amine is sourced from PubChem (CID 19360227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).