2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene

C11H5Cl3F2S — CID 63436785

IUPAC2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C11H5Cl3F2S/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H
InChIKeyNQYQTQHOUQHBPA-UHFFFAOYSA-N
MW313.58 g/mol
LogP5.66
Rot. Bonds2

About 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene

2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene (PubChem CID 63436785) has the molecular formula C11H5Cl3F2S and a molecular weight of 313.58 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
PubChem CID63436785
Molecular FormulaC11H5Cl3F2S
Molecular Weight313.58 g/mol
Exact Mass311.91
IUPAC Name2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C11H5Cl3F2S/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H
InChIKeyNQYQTQHOUQHBPA-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.58
LogP ≤ 55.66
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

2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
CID 63436567
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
2,5-dichloro-3-[chloro-(4-cyclohexylphenyl)methyl]thiophene
CID 107964502

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene (CID 63436785) is 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cc(Cl)sc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The InChIKey is NQYQTQHOUQHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3F2S/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H.
What are the key properties of 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene has a molecular weight of 313.58 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 63436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).