3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene

C12H8Cl2F2S — CID 103404573

IUPAC3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
SMILESCc1csc(C(Cl)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C12H8Cl2F2S/c1-6-5-17-12(10(6)13)11(14)7-2-3-8(15)9(16)4-7/h2-5,11H,1H3
InChIKeyWUHOFNMLJWNBRO-UHFFFAOYSA-N
MW293.17 g/mol
LogP5.32
Rot. Bonds2

About 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene

3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene (PubChem CID 103404573) has the molecular formula C12H8Cl2F2S and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
PubChem CID103404573
Molecular FormulaC12H8Cl2F2S
Molecular Weight293.17 g/mol
Exact Mass291.97
IUPAC Name3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
SMILESCc1csc(C(Cl)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C12H8Cl2F2S/c1-6-5-17-12(10(6)13)11(14)7-2-3-8(15)9(16)4-7/h2-5,11H,1H3
InChIKeyWUHOFNMLJWNBRO-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.17
LogP ≤ 55.32
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

4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 103404852
2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 107992088
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
2-[(4-bromo-5-chloro-2-fluorophenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404935
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene?
The IUPAC name of 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene (CID 103404573) is 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene?
The canonical SMILES for 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene is Cc1csc(C(Cl)c2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene?
The InChIKey is WUHOFNMLJWNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2S/c1-6-5-17-12(10(6)13)11(14)7-2-3-8(15)9(16)4-7/h2-5,11H,1H3.
What are the key properties of 3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene?
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene has a molecular weight of 293.17 g/mol, XLogP of 5.32, 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-(3,4-difluorophenyl)methyl]-4-methylthiophene is sourced from PubChem (CID 103404573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).