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

C11H5Cl2F3S — CID 79754690

IUPAC2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Cl)s2)c(F)c1F
InChIInChI=1S/C11H5Cl2F3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H
InChIKeyPOPIQQCJKSJDCU-UHFFFAOYSA-N
MW297.13 g/mol
LogP5.15
Rot. Bonds2

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

2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene (PubChem CID 79754690) has the molecular formula C11H5Cl2F3S and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
PubChem CID79754690
Molecular FormulaC11H5Cl2F3S
Molecular Weight297.13 g/mol
Exact Mass295.94
IUPAC Name2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2ccc(Cl)s2)c(F)c1F
InChIInChI=1S/C11H5Cl2F3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H
InChIKeyPOPIQQCJKSJDCU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.13
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79757506
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749216
2-chloro-5-[chloro-(2-chloro-4-fluorophenyl)methyl]thiophene
CID 63432103
3-[chloro-(2,3,4-trifluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 79756532
2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
CID 79808536
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
CID 62661789
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816406
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene (CID 79754690) is 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2ccc(Cl)s2)c(F)c1F.
What is the InChIKey of 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
The InChIKey is POPIQQCJKSJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3S/c12-8-4-3-7(17-8)9(13)5-1-2-6(14)11(16)10(5)15/h1-4,9H.
What are the key properties of 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene?
2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene has a molecular weight of 297.13 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene is sourced from PubChem (CID 79754690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).