7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene

C9H5ClFIS — CID 142472643

IUPAC7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
SMILESCc1sc2c(Cl)cc(F)cc2c1I
InChIInChI=1S/C9H5ClFIS/c1-4-8(12)6-2-5(11)3-7(10)9(6)13-4/h2-3H,1H3
InChIKeyAFBLDRIVCMRYNQ-UHFFFAOYSA-N
MW326.56 g/mol
LogP4.61
Rot. Bonds

About 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene

7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene (PubChem CID 142472643) has the molecular formula C9H5ClFIS and a molecular weight of 326.56 g/mol. Its IUPAC name is 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
PubChem CID142472643
Molecular FormulaC9H5ClFIS
Molecular Weight326.56 g/mol
Exact Mass325.88
IUPAC Name7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
SMILESCc1sc2c(Cl)cc(F)cc2c1I
InChIInChI=1S/C9H5ClFIS/c1-4-8(12)6-2-5(11)3-7(10)9(6)13-4/h2-3H,1H3
InChIKeyAFBLDRIVCMRYNQ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
3-chloro-5,7-difluoro-2-methyl-1-benzothiophene;propane
CID 143670316
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
6-chloro-N-[2-(7-chloro-5-fluoro-2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 150715184
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637
4-chloro-6,8-difluoro-3-iodo-2-methylquinoline
CID 121236848
3-iodo-2-methyl-1-benzothiophene-7-thiol
CID 130821468
7-chloro-5-fluoro-3-methyl-1H-indole;ethane
CID 143713524
2-bromo-1-chloro-5-fluoro-3-methylbenzene
CID 50998614
3-chloro-5-fluoro-2-methylbenzenethiol
CID 130912771

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene (CID 142472643) is 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene is Cc1sc2c(Cl)cc(F)cc2c1I.
What is the InChIKey of 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene?
The InChIKey is AFBLDRIVCMRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFIS/c1-4-8(12)6-2-5(11)3-7(10)9(6)13-4/h2-3H,1H3.
What are the key properties of 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene?
7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene has a molecular weight of 326.56 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene is sourced from PubChem (CID 142472643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).