3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene

C12H9Cl2FS — CID 80530635

IUPAC3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
SMILESCc1ccc(F)c(C(Cl)c2sccc2Cl)c1
InChIInChI=1S/C12H9Cl2FS/c1-7-2-3-10(15)8(6-7)11(14)12-9(13)4-5-16-12/h2-6,11H,1H3
InChIKeyKWSXWAKUHQWFOV-UHFFFAOYSA-N
MW275.18 g/mol
LogP5.18
Rot. Bonds2

About 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene

3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene (PubChem CID 80530635) has the molecular formula C12H9Cl2FS and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
PubChem CID80530635
Molecular FormulaC12H9Cl2FS
Molecular Weight275.18 g/mol
Exact Mass273.98
IUPAC Name3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
SMILESCc1ccc(F)c(C(Cl)c2sccc2Cl)c1
InChIInChI=1S/C12H9Cl2FS/c1-7-2-3-10(15)8(6-7)11(14)12-9(13)4-5-16-12/h2-6,11H,1H3
InChIKeyKWSXWAKUHQWFOV-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.18
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-chloro-2-[chloro-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80530320
2-[bromo-(2-fluoro-5-methylphenyl)methyl]-3-chlorothiophene
CID 80531659
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
2-[(5-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 80530319
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene?
The IUPAC name of 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene (CID 80530635) is 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene?
The canonical SMILES for 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene is Cc1ccc(F)c(C(Cl)c2sccc2Cl)c1.
What is the InChIKey of 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene?
The InChIKey is KWSXWAKUHQWFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FS/c1-7-2-3-10(15)8(6-7)11(14)12-9(13)4-5-16-12/h2-6,11H,1H3.
What are the key properties of 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene?
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene has a molecular weight of 275.18 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene is sourced from PubChem (CID 80530635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).