2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene

C12H9Cl2FS — CID 63519031

IUPAC2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
SMILESFc1ccc(C(Cl)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C12H9Cl2FS/c13-11-6-8(15)3-4-10(11)12(14)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyZRHCBINBXJFKMV-UHFFFAOYSA-N
MW275.18 g/mol
LogP5.06
Rot. Bonds3

About 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene

2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene (PubChem CID 63519031) has the molecular formula C12H9Cl2FS and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
PubChem CID63519031
Molecular FormulaC12H9Cl2FS
Molecular Weight275.18 g/mol
Exact Mass273.98
IUPAC Name2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
SMILESFc1ccc(C(Cl)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C12H9Cl2FS/c13-11-6-8(15)3-4-10(11)12(14)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyZRHCBINBXJFKMV-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.06
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-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
CID 55149357
2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43770187
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene?
The IUPAC name of 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene (CID 63519031) is 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene is Fc1ccc(C(Cl)Cc2cccs2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene?
The InChIKey is ZRHCBINBXJFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FS/c13-11-6-8(15)3-4-10(11)12(14)7-9-2-1-5-16-9/h1-6,12H,7H2.
What are the key properties of 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene?
2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene has a molecular weight of 275.18 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene is sourced from PubChem (CID 63519031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).