4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene

C11H5Cl2F2IS — CID 107477290

IUPAC4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene
SMILESFc1cc(Cl)c(C(Cl)c2csc(I)c2)cc1F
InChIInChI=1S/C11H5Cl2F2IS/c12-7-3-9(15)8(14)2-6(7)11(13)5-1-10(16)17-4-5/h1-4,11H
InChIKeyLNUYLDDQCOBWRX-UHFFFAOYSA-N
MW405.03 g/mol
LogP5.61
Rot. Bonds2

About 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene

4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene (PubChem CID 107477290) has the molecular formula C11H5Cl2F2IS and a molecular weight of 405.03 g/mol. Its IUPAC name is 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene.

Molecular Properties

Compound Name4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene
PubChem CID107477290
Molecular FormulaC11H5Cl2F2IS
Molecular Weight405.03 g/mol
Exact Mass403.85
IUPAC Name4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene
SMILESFc1cc(Cl)c(C(Cl)c2csc(I)c2)cc1F
InChIInChI=1S/C11H5Cl2F2IS/c12-7-3-9(15)8(14)2-6(7)11(13)5-1-10(16)17-4-5/h1-4,11H
InChIKeyLNUYLDDQCOBWRX-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.03
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-8-[chloro-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 79684548
4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
CID 79684464
2,5-dichloro-3-[chloro-(5-iodothiophen-3-yl)methyl]thiophene
CID 79683590
4-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-iodothiophene
CID 81050515
4-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2-iodothiophene
CID 79684320
4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-iodothiophene
CID 79743303
1-chloro-2-[chloro-(4-methylphenyl)methyl]-4,5-difluorobenzene
CID 107477447
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4,5-difluorobenzene
CID 107477375
4-[(4-bromonaphthalen-1-yl)-chloromethyl]-2-iodothiophene
CID 79683678
2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
CID 107964544
7-[(5-bromothiophen-3-yl)-chloromethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 114021610
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene?
The IUPAC name of 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene (CID 107477290) is 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene.
What is the SMILES notation for 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene?
The canonical SMILES for 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene is Fc1cc(Cl)c(C(Cl)c2csc(I)c2)cc1F.
What is the InChIKey of 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene?
The InChIKey is LNUYLDDQCOBWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2IS/c12-7-3-9(15)8(14)2-6(7)11(13)5-1-10(16)17-4-5/h1-4,11H.
What are the key properties of 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene?
4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene has a molecular weight of 405.03 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2-iodothiophene is sourced from PubChem (CID 107477290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).