3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene

C12H8Cl2F2S — CID 80530624

IUPAC3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
SMILESFc1ccc(CC(Cl)c2sccc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2S/c13-9-3-4-17-12(9)10(14)5-7-1-2-8(15)6-11(7)16/h1-4,6,10H,5H2
InChIKeyLXRABSPYUCJYGJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP5.20
Rot. Bonds3

About 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene

3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene (PubChem CID 80530624) has the molecular formula C12H8Cl2F2S and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
PubChem CID80530624
Molecular FormulaC12H8Cl2F2S
Molecular Weight293.17 g/mol
Exact Mass291.97
IUPAC Name3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
SMILESFc1ccc(CC(Cl)c2sccc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2F2S/c13-9-3-4-17-12(9)10(14)5-7-1-2-8(15)6-11(7)16/h1-4,6,10H,5H2
InChIKeyLXRABSPYUCJYGJ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.17
LogP ≤ 55.20
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

N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
3-chloro-2-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80530594
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 80530346
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
CID 106689828
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene?
The IUPAC name of 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene (CID 80530624) is 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene.
What is the SMILES notation for 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene?
The canonical SMILES for 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene is Fc1ccc(CC(Cl)c2sccc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene?
The InChIKey is LXRABSPYUCJYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2S/c13-9-3-4-17-12(9)10(14)5-7-1-2-8(15)6-11(7)16/h1-4,6,10H,5H2.
What are the key properties of 3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene?
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene has a molecular weight of 293.17 g/mol, XLogP of 5.20, 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-(2,4-difluorophenyl)ethyl]thiophene is sourced from PubChem (CID 80530624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).