3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol

C9H5ClF2OS — CID 131031375

IUPAC3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol
SMILESOc1c(C(F)F)ccc2scc(Cl)c12
InChIInChI=1S/C9H5ClF2OS/c10-5-3-14-6-2-1-4(9(11)12)8(13)7(5)6/h1-3,9,13H
InChIKeyUXSVRCHBIRJTBK-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.20
Rot. Bonds1

About 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol

3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol (PubChem CID 131031375) has the molecular formula C9H5ClF2OS and a molecular weight of 234.65 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol
PubChem CID131031375
Molecular FormulaC9H5ClF2OS
Molecular Weight234.65 g/mol
Exact Mass233.97
IUPAC Name3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol
SMILESOc1c(C(F)F)ccc2scc(Cl)c12
InChIInChI=1S/C9H5ClF2OS/c10-5-3-14-6-2-1-4(9(11)12)8(13)7(5)6/h1-3,9,13H
InChIKeyUXSVRCHBIRJTBK-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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Related Compounds

3-amino-5-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792241
3-chloro-7-(difluoromethyl)-1-benzothiophen-4-ol
CID 130792661
5-chloro-3-(difluoromethyl)-4-fluoro-1-benzothiophene
CID 131001333
3-chloro-5-nitro-1-benzothiophen-4-ol
CID 91756096
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
3-(bromomethyl)-5-chloro-1-benzothiophen-4-ol
CID 130792713
3,5-dichloro-4-methoxy-1-benzothiophene
CID 130865286
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
3,5-dibromo-1-benzothiophen-4-ol
CID 131138178
6-chloro-4-(difluoromethyl)-1-benzothiophene-3-thiol
CID 130885364
4-bromo-6-chloro-3-(difluoromethyl)-1-benzothiophene
CID 131119349
5-chloro-6-(difluoromethyl)-1-benzothiophene-3-thiol
CID 131146110

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol?
The IUPAC name of 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol (CID 131031375) is 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol is Oc1c(C(F)F)ccc2scc(Cl)c12.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol?
The InChIKey is UXSVRCHBIRJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2OS/c10-5-3-14-6-2-1-4(9(11)12)8(13)7(5)6/h1-3,9,13H.
What are the key properties of 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol?
3-chloro-5-(difluoromethyl)-1-benzothiophen-4-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 3-chloro-5-(difluoromethyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 131031375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).