7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol

C9H4ClF3OS — CID 119086440

IUPAC7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)c(C(F)(F)F)ccc12
InChIInChI=1S/C9H4ClF3OS/c10-7-5(9(11,12)13)2-1-4-6(14)3-15-8(4)7/h1-3,14H
InChIKeyKEZOYWQNXLARHF-UHFFFAOYSA-N
MW252.64 g/mol
LogP4.28
Rot. Bonds

About 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol

7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol (PubChem CID 119086440) has the molecular formula C9H4ClF3OS and a molecular weight of 252.64 g/mol. Its IUPAC name is 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol
PubChem CID119086440
Molecular FormulaC9H4ClF3OS
Molecular Weight252.64 g/mol
Exact Mass251.96
IUPAC Name7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)c(C(F)(F)F)ccc12
InChIInChI=1S/C9H4ClF3OS/c10-7-5(9(11,12)13)2-1-4-6(14)3-15-8(4)7/h1-3,14H
InChIKeyKEZOYWQNXLARHF-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol?
The IUPAC name of 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol (CID 119086440) is 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol.
What is the SMILES notation for 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol?
The canonical SMILES for 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol is Oc1csc2c(Cl)c(C(F)(F)F)ccc12.
What is the InChIKey of 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol?
The InChIKey is KEZOYWQNXLARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3OS/c10-7-5(9(11,12)13)2-1-4-6(14)3-15-8(4)7/h1-3,14H.
What are the key properties of 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol?
7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol has a molecular weight of 252.64 g/mol, XLogP of 4.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(trifluoromethyl)-1-benzothiophen-3-ol is sourced from PubChem (CID 119086440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).