3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene

C10H8ClFS — CID 130951803

IUPAC3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(F)c(CCl)c2c1
InChIInChI=1S/C10H8ClFS/c1-6-2-3-9-7(4-6)8(5-11)10(12)13-9/h2-4H,5H2,1H3
InChIKeyZUOLYHQMPULKLR-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.09
Rot. Bonds1

About 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene

3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene (PubChem CID 130951803) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
PubChem CID130951803
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
SMILESCc1ccc2sc(F)c(CCl)c2c1
InChIInChI=1S/C10H8ClFS/c1-6-2-3-9-7(4-6)8(5-11)10(12)13-9/h2-4H,5H2,1H3
InChIKeyZUOLYHQMPULKLR-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2,7-dimethylthiochromeno[3,2-b]furan-9-one
CID 11108680
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 131124486
3-(2,6-dimethyl-4-oxothiochromen-3-yl)-2,6-dimethylthiochromen-4-one
CID 10385011
4-(chloromethyl)-5-methyl-1-benzothiophene-2-carbaldehyde
CID 131015688
2-chloro-3-(difluoromethyl)-5-methyl-1-benzothiophene
CID 130866334
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene?
The IUPAC name of 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene (CID 130951803) is 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene.
What is the SMILES notation for 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene?
The canonical SMILES for 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene is Cc1ccc2sc(F)c(CCl)c2c1.
What is the InChIKey of 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene?
The InChIKey is ZUOLYHQMPULKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-6-2-3-9-7(4-6)8(5-11)10(12)13-9/h2-4H,5H2,1H3.
What are the key properties of 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene?
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene has a molecular weight of 214.69 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene is sourced from PubChem (CID 130951803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).