7-chloro-2,4-difluorodibenzothiophene

C12H5ClF2S — CID 156704591

IUPAC7-chloro-2,4-difluorodibenzothiophene
SMILESFc1cc(F)c2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H5ClF2S/c13-6-1-2-8-9-4-7(14)5-10(15)12(9)16-11(8)3-6/h1-5H
InChIKeyZIULBJWKKFUJNP-UHFFFAOYSA-N
MW254.69 g/mol
LogP4.99
Rot. Bonds

About 7-chloro-2,4-difluorodibenzothiophene

7-chloro-2,4-difluorodibenzothiophene (PubChem CID 156704591) has the molecular formula C12H5ClF2S and a molecular weight of 254.69 g/mol. Its IUPAC name is 7-chloro-2,4-difluorodibenzothiophene.

Molecular Properties

Compound Name7-chloro-2,4-difluorodibenzothiophene
PubChem CID156704591
Molecular FormulaC12H5ClF2S
Molecular Weight254.69 g/mol
Exact Mass253.98
IUPAC Name7-chloro-2,4-difluorodibenzothiophene
SMILESFc1cc(F)c2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H5ClF2S/c13-6-1-2-8-9-4-7(14)5-10(15)12(9)16-11(8)3-6/h1-5H
InChIKeyZIULBJWKKFUJNP-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
6-chloro-2-fluoro-3-methoxy-1-benzothiophene
CID 130792276
6-chloro-3-(2-chloro-3,5-difluorophenyl)-1-benzothiophene-2-carboxylic acid
CID 168780888
2,5,7-trifluoro-1-benzothiophene
CID 130786065
3-chloro-5,7-difluoro-2-methyl-1-benzothiophene;propane
CID 143670316
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
7-chlorodibenzothiophen-2-amine
CID 21439881
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
2-butan-2-yl-3-chloro-5,7-difluoro-1-benzothiophene
CID 71088766

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-difluorodibenzothiophene?
The IUPAC name of 7-chloro-2,4-difluorodibenzothiophene (CID 156704591) is 7-chloro-2,4-difluorodibenzothiophene.
What is the SMILES notation for 7-chloro-2,4-difluorodibenzothiophene?
The canonical SMILES for 7-chloro-2,4-difluorodibenzothiophene is Fc1cc(F)c2sc3cc(Cl)ccc3c2c1.
What is the InChIKey of 7-chloro-2,4-difluorodibenzothiophene?
The InChIKey is ZIULBJWKKFUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF2S/c13-6-1-2-8-9-4-7(14)5-10(15)12(9)16-11(8)3-6/h1-5H.
What are the key properties of 7-chloro-2,4-difluorodibenzothiophene?
7-chloro-2,4-difluorodibenzothiophene has a molecular weight of 254.69 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-difluorodibenzothiophene is sourced from PubChem (CID 156704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).