3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene

C12H8Cl3FS — CID 80530346

IUPAC3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
SMILESFc1cccc(Cl)c1CC(Cl)c1sccc1Cl
InChIInChI=1S/C12H8Cl3FS/c13-8-2-1-3-11(16)7(8)6-10(15)12-9(14)4-5-17-12/h1-5,10H,6H2
InChIKeyNAZKXAKYPBNZDV-UHFFFAOYSA-N
MW309.62 g/mol
LogP5.72
Rot. Bonds3

About 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene

3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene (PubChem CID 80530346) has the molecular formula C12H8Cl3FS and a molecular weight of 309.62 g/mol. Its IUPAC name is 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
PubChem CID80530346
Molecular FormulaC12H8Cl3FS
Molecular Weight309.62 g/mol
Exact Mass307.94
IUPAC Name3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
SMILESFc1cccc(Cl)c1CC(Cl)c1sccc1Cl
InChIInChI=1S/C12H8Cl3FS/c13-8-2-1-3-11(16)7(8)6-10(15)12-9(14)4-5-17-12/h1-5,10H,6H2
InChIKeyNAZKXAKYPBNZDV-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.62
LogP ≤ 55.72
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-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80530594
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-3-chlorothiophene
CID 80530359
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-chloro-2-[2-chloro-2-(2-iodo-3-methylphenyl)ethyl]-3-fluorobenzene
CID 114029596
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
CID 65433307
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457
1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518309
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
[2-(2-chloro-6-fluorophenyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102842734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene?
The IUPAC name of 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene (CID 80530346) is 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene.
What is the SMILES notation for 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene?
The canonical SMILES for 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene is Fc1cccc(Cl)c1CC(Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene?
The InChIKey is NAZKXAKYPBNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FS/c13-8-2-1-3-11(16)7(8)6-10(15)12-9(14)4-5-17-12/h1-5,10H,6H2.
What are the key properties of 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene?
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene has a molecular weight of 309.62 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene is sourced from PubChem (CID 80530346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).