7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol

C9H5ClF2OS — CID 131146373

IUPAC7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol
SMILESOc1sc2c(Cl)cccc2c1C(F)F
InChIInChI=1S/C9H5ClF2OS/c10-5-3-1-2-4-6(8(11)12)9(13)14-7(4)5/h1-3,8,13H
InChIKeyPVICKNVQRZGBCY-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.20
Rot. Bonds1

About 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol

7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol (PubChem CID 131146373) has the molecular formula C9H5ClF2OS and a molecular weight of 234.65 g/mol. Its IUPAC name is 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol
PubChem CID131146373
Molecular FormulaC9H5ClF2OS
Molecular Weight234.65 g/mol
Exact Mass233.97
IUPAC Name7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol
SMILESOc1sc2c(Cl)cccc2c1C(F)F
InChIInChI=1S/C9H5ClF2OS/c10-5-3-1-2-4-6(8(11)12)9(13)14-7(4)5/h1-3,8,13H
InChIKeyPVICKNVQRZGBCY-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

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CID 112546241
9-chlorodibenzothiophen-4-ol
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1,3,6-trichlorodibenzothiophene
CID 527120
4-bromo-6-chlorodibenzothiophene
CID 54757064
2,3-dibromo-7-chloro-1-benzothiophene
CID 118221624
2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
CID 43155241
2-(bromomethyl)-3,7-dichloro-1-benzothiophene
CID 131169650
2-chloro-1-(difluoromethyl)naphthalene
CID 119014029
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol?
The IUPAC name of 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol (CID 131146373) is 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol.
What is the SMILES notation for 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol?
The canonical SMILES for 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol is Oc1sc2c(Cl)cccc2c1C(F)F.
What is the InChIKey of 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol?
The InChIKey is PVICKNVQRZGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2OS/c10-5-3-1-2-4-6(8(11)12)9(13)14-7(4)5/h1-3,8,13H.
What are the key properties of 7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol?
7-chloro-3-(difluoromethyl)-1-benzothiophen-2-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-3-(difluoromethyl)-1-benzothiophen-2-ol is sourced from PubChem (CID 131146373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).