2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene

C11H2Cl3F5S — CID 63436337

IUPAC2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
SMILESFc1c(F)c(F)c(C(Cl)c2cc(Cl)sc2Cl)c(F)c1F
InChIInChI=1S/C11H2Cl3F5S/c12-3-1-2(11(14)20-3)5(13)4-6(15)8(17)10(19)9(18)7(4)16/h1,5H
InChIKeyJMNOBKSOSUGUCV-UHFFFAOYSA-N
MW367.55 g/mol
LogP6.08
Rot. Bonds2

About 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene

2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene (PubChem CID 63436337) has the molecular formula C11H2Cl3F5S and a molecular weight of 367.55 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
PubChem CID63436337
Molecular FormulaC11H2Cl3F5S
Molecular Weight367.55 g/mol
Exact Mass365.89
IUPAC Name2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
SMILESFc1c(F)c(F)c(C(Cl)c2cc(Cl)sc2Cl)c(F)c1F
InChIInChI=1S/C11H2Cl3F5S/c12-3-1-2(11(14)20-3)5(13)4-6(15)8(17)10(19)9(18)7(4)16/h1,5H
InChIKeyJMNOBKSOSUGUCV-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 56.08
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
2,5-dichloro-3-[chloro-(2-fluorophenyl)methyl]thiophene
CID 63436567
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
3-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-2,4,5-trimethylfuran
CID 65152236
2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
2,5-dichloro-3-[chloro-(3-chlorothiophen-2-yl)methyl]thiophene
CID 80642391
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 63436479

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene (CID 63436337) is 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene is Fc1c(F)c(F)c(C(Cl)c2cc(Cl)sc2Cl)c(F)c1F.
What is the InChIKey of 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene?
The InChIKey is JMNOBKSOSUGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl3F5S/c12-3-1-2(11(14)20-3)5(13)4-6(15)8(17)10(19)9(18)7(4)16/h1,5H.
What are the key properties of 2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene?
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene has a molecular weight of 367.55 g/mol, XLogP of 6.08, 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-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene is sourced from PubChem (CID 63436337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).