7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol

C9H5ClF2OS — CID 131034357

IUPAC7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
SMILESOc1c(C(F)F)cc2ccsc2c1Cl
InChIInChI=1S/C9H5ClF2OS/c10-6-7(13)5(9(11)12)3-4-1-2-14-8(4)6/h1-3,9,13H
InChIKeyKUNPHRMKBVUNQP-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.20
Rot. Bonds1

About 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol

7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol (PubChem CID 131034357) has the molecular formula C9H5ClF2OS and a molecular weight of 234.65 g/mol. Its IUPAC name is 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
PubChem CID131034357
Molecular FormulaC9H5ClF2OS
Molecular Weight234.65 g/mol
Exact Mass233.97
IUPAC Name7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol
SMILESOc1c(C(F)F)cc2ccsc2c1Cl
InChIInChI=1S/C9H5ClF2OS/c10-6-7(13)5(9(11)12)3-4-1-2-14-8(4)6/h1-3,9,13H
InChIKeyKUNPHRMKBVUNQP-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol?
The IUPAC name of 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol (CID 131034357) is 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol?
The canonical SMILES for 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol is Oc1c(C(F)F)cc2ccsc2c1Cl.
What is the InChIKey of 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol?
The InChIKey is KUNPHRMKBVUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2OS/c10-6-7(13)5(9(11)12)3-4-1-2-14-8(4)6/h1-3,9,13H.
What are the key properties of 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol?
7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol has a molecular weight of 234.65 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(difluoromethyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 131034357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).