2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene

C13H11Cl2FS — CID 107992088

IUPAC2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Cl)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H11Cl2FS/c1-7-5-8(2)17-13(7)12(15)9-3-4-10(14)11(16)6-9/h3-6,12H,1-2H3
InChIKeyRBHJUDCTRFRKPT-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.49
Rot. Bonds2

About 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene

2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene (PubChem CID 107992088) has the molecular formula C13H11Cl2FS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
PubChem CID107992088
Molecular FormulaC13H11Cl2FS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Cl)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H11Cl2FS/c1-7-5-8(2)17-13(7)12(15)9-3-4-10(14)11(16)6-9/h3-6,12H,1-2H3
InChIKeyRBHJUDCTRFRKPT-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.49
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-[(3-bromo-4-chlorophenyl)-chloromethyl]-3,5-dimethylthiophene
CID 107992087
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3,5-dimethylthiophene
CID 81476170
3-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-5-methylthiophene
CID 82879562
2-[chloro-(3-methylphenyl)methyl]-3,5-dimethylthiophene
CID 81157528
3-bromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 65278452
2-[chloro-(2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81157986
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 107992162
3-[chloro-(3,5-dimethylthiophen-2-yl)methyl]furan
CID 81158093
2-[(4-bromo-2-fluorophenyl)-chloromethyl]-3,5-dimethylthiophene
CID 81158449
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene (CID 107992088) is 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene is Cc1cc(C)c(C(Cl)c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene?
The InChIKey is RBHJUDCTRFRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FS/c1-7-5-8(2)17-13(7)12(15)9-3-4-10(14)11(16)6-9/h3-6,12H,1-2H3.
What are the key properties of 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene?
2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene has a molecular weight of 289.20 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene is sourced from PubChem (CID 107992088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).