2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene

C11H6Cl3FS — CID 63432103

IUPAC2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Cl)s2)c(Cl)c1
InChIInChI=1S/C11H6Cl3FS/c12-8-5-6(15)1-2-7(8)11(14)9-3-4-10(13)16-9/h1-5,11H
InChIKeyLPILVXJNJDTITN-UHFFFAOYSA-N
MW295.59 g/mol
LogP5.52
Rot. Bonds2

About 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene

2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene (PubChem CID 63432103) has the molecular formula C11H6Cl3FS and a molecular weight of 295.59 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
PubChem CID63432103
Molecular FormulaC11H6Cl3FS
Molecular Weight295.59 g/mol
Exact Mass293.92
IUPAC Name2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Cl)s2)c(Cl)c1
InChIInChI=1S/C11H6Cl3FS/c12-8-5-6(15)1-2-7(8)11(14)9-3-4-10(13)16-9/h1-5,11H
InChIKeyLPILVXJNJDTITN-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.59
LogP ≤ 55.52
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

2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 107477391
2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
CID 79808536
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1,4-dibromo-2-[chloro-(2-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 81472723
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]piperazine
CID 171178914
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene (CID 63432103) is 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2ccc(Cl)s2)c(Cl)c1.
What is the InChIKey of 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene?
The InChIKey is LPILVXJNJDTITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FS/c12-8-5-6(15)1-2-7(8)11(14)9-3-4-10(13)16-9/h1-5,11H.
What are the key properties of 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene?
2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene has a molecular weight of 295.59 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63432103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).