1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole

C11H7ClF4N2S — CID 130318736

IUPAC1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole
SMILESFC(F)(Sc1ccc(Cl)cc1)C(F)(F)n1ccnc1
InChIInChI=1S/C11H7ClF4N2S/c12-8-1-3-9(4-2-8)19-11(15,16)10(13,14)18-6-5-17-7-18/h1-7H
InChIKeyWMBMNDNWHDLZIT-UHFFFAOYSA-N
MW310.70 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole

1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole (PubChem CID 130318736) has the molecular formula C11H7ClF4N2S and a molecular weight of 310.70 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole
PubChem CID130318736
Molecular FormulaC11H7ClF4N2S
Molecular Weight310.70 g/mol
Exact Mass310.00
IUPAC Name1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole
SMILESFC(F)(Sc1ccc(Cl)cc1)C(F)(F)n1ccnc1
InChIInChI=1S/C11H7ClF4N2S/c12-8-1-3-9(4-2-8)19-11(15,16)10(13,14)18-6-5-17-7-18/h1-7H
InChIKeyWMBMNDNWHDLZIT-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Chlorophenyl)sulfanylethyl]imidazole
CID 762587
1-[4-(4-Chlorophenyl)sulfanylbutyl]imidazole
CID 2922879
Cambridge id 7017928
CID 2924106
Cambridge id 7011415
CID 5151069
1-[3-(4-Chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propyl]imidazole
CID 20365455
1-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402509
1-[2-(4-Chlorophenyl)sulfanyl-1-fluoro-2-(4-fluorophenyl)ethyl]imidazole
CID 70636865
1-[3-(4-Chlorophenyl)sulfanyl-1,1,1-trifluoro-3-phenylpropan-2-yl]imidazole
CID 70636956
2-[4-Chloro-2-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole;hydrochloride
CID 140353724
1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]-4H-imidazol-4-ylium
CID 140806303
4-Chlorobenzenethiol;1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole;methane
CID 158002313
2-[4-Chloro-2-(trifluoromethyl)phenyl]sulfanyl-1-methylimidazole
CID 15077516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole (CID 130318736) is 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole is FC(F)(Sc1ccc(Cl)cc1)C(F)(F)n1ccnc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole?
The InChIKey is WMBMNDNWHDLZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2S/c12-8-1-3-9(4-2-8)19-11(15,16)10(13,14)18-6-5-17-7-18/h1-7H.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole?
1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole has a molecular weight of 310.70 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanyl-1,1,2,2-tetrafluoroethyl]imidazole is sourced from PubChem (CID 130318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).