(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane

C13H4ClF7N2S — CID 23272505

IUPAC(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N=S=Nc1ccc(Cl)cc1
InChIInChI=1S/C13H4ClF7N2S/c14-5-1-3-6(4-2-5)22-24-23-12-10(17)8(15)7(13(19,20)21)9(16)11(12)18/h1-4H
InChIKeyXEJZOASZZVFPBW-UHFFFAOYSA-N
MW388.70 g/mol
LogP6.33
Rot. Bonds2

About (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane

(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane (PubChem CID 23272505) has the molecular formula C13H4ClF7N2S and a molecular weight of 388.70 g/mol. Its IUPAC name is (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane.

Molecular Properties

Compound Name(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
PubChem CID23272505
Molecular FormulaC13H4ClF7N2S
Molecular Weight388.70 g/mol
Exact Mass387.97
IUPAC Name(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1N=S=Nc1ccc(Cl)cc1
InChIInChI=1S/C13H4ClF7N2S/c14-5-1-3-6(4-2-5)22-24-23-12-10(17)8(15)7(13(19,20)21)9(16)11(12)18/h1-4H
InChIKeyXEJZOASZZVFPBW-UHFFFAOYSA-N
XLogP6.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23266511
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CID 11176672
CID 11176672
CID 11372606
CID 11372606
CID 54499033
CID 54499033
CID 57022613
CID 57022613
CID 57089658
CID 57089658
CID 68024183
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CID 86246467
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CID 86246479
CID 86246479

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The IUPAC name of (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane (CID 23272505) is (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane.
What is the SMILES notation for (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The canonical SMILES for (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=S=Nc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
The InChIKey is XEJZOASZZVFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF7N2S/c14-5-1-3-6(4-2-5)22-24-23-12-10(17)8(15)7(13(19,20)21)9(16)11(12)18/h1-4H.
What are the key properties of (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane?
(4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane has a molecular weight of 388.70 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)imino-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]imino-λ4-sulfane is sourced from PubChem (CID 23272505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).