chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane

C6H3ClF6S — CID 118311397

IUPACchloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane
SMILESFc1ccc(S(F)(F)(F)(F)Cl)cc1F
InChIInChI=1S/C6H3ClF6S/c7-14(10,11,12,13)4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyYLTPLHKVRQTJKY-UHFFFAOYSA-N
MW256.60 g/mol
LogP4.89
Rot. Bonds1

About chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane

chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane (PubChem CID 118311397) has the molecular formula C6H3ClF6S and a molecular weight of 256.60 g/mol. Its IUPAC name is chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane.

Molecular Properties

Compound Namechloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane
PubChem CID118311397
Molecular FormulaC6H3ClF6S
Molecular Weight256.60 g/mol
Exact Mass255.95
IUPAC Namechloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane
SMILESFc1ccc(S(F)(F)(F)(F)Cl)cc1F
InChIInChI=1S/C6H3ClF6S/c7-14(10,11,12,13)4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyYLTPLHKVRQTJKY-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane?
The IUPAC name of chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane (CID 118311397) is chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane.
What is the SMILES notation for chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane?
The canonical SMILES for chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane is Fc1ccc(S(F)(F)(F)(F)Cl)cc1F.
What is the InChIKey of chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane?
The InChIKey is YLTPLHKVRQTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF6S/c7-14(10,11,12,13)4-1-2-5(8)6(9)3-4/h1-3H.
What are the key properties of chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane?
chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane has a molecular weight of 256.60 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane is sourced from PubChem (CID 118311397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).