1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene

C14H8Cl2F4O2S — CID 138961474

IUPAC1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene
SMILESO=S(=O)(C(F)(F)c1ccc(Cl)cc1)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F4O2S/c15-11-5-1-9(2-6-11)13(17,18)23(21,22)14(19,20)10-3-7-12(16)8-4-10/h1-8H
InChIKeyVTEWSIFKAPZTCO-UHFFFAOYSA-N
MW387.18 g/mol
LogP5.21
Rot. Bonds4

About 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene

1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene (PubChem CID 138961474) has the molecular formula C14H8Cl2F4O2S and a molecular weight of 387.18 g/mol. Its IUPAC name is 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene
PubChem CID138961474
Molecular FormulaC14H8Cl2F4O2S
Molecular Weight387.18 g/mol
Exact Mass385.96
IUPAC Name1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene
SMILESO=S(=O)(C(F)(F)c1ccc(Cl)cc1)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F4O2S/c15-11-5-1-9(2-6-11)13(17,18)23(21,22)14(19,20)10-3-7-12(16)8-4-10/h1-8H
InChIKeyVTEWSIFKAPZTCO-UHFFFAOYSA-N
XLogP5.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.18
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene?
The IUPAC name of 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene (CID 138961474) is 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene.
What is the SMILES notation for 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene?
The canonical SMILES for 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene is O=S(=O)(C(F)(F)c1ccc(Cl)cc1)C(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene?
The InChIKey is VTEWSIFKAPZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F4O2S/c15-11-5-1-9(2-6-11)13(17,18)23(21,22)14(19,20)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene?
1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene has a molecular weight of 387.18 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[(4-chlorophenyl)-difluoromethyl]sulfonyl-difluoromethyl]benzene is sourced from PubChem (CID 138961474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).