chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane

C7H8ClF5S — CID 161299570

IUPACchloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane
SMILESC.Fc1ccc(S(F)(F)(F)(F)Cl)cc1
InChIInChI=1S/C6H4ClF5S.CH4/c7-13(9,10,11,12)6-3-1-5(8)2-4-6;/h1-4H;1H4
InChIKeyVHKQXPIURBZXMM-UHFFFAOYSA-N
MW254.65 g/mol
LogP5.39
Rot. Bonds1

About chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane

chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane (PubChem CID 161299570) has the molecular formula C7H8ClF5S and a molecular weight of 254.65 g/mol. Its IUPAC name is chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane.

Molecular Properties

Compound Namechloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane
PubChem CID161299570
Molecular FormulaC7H8ClF5S
Molecular Weight254.65 g/mol
Exact Mass254.00
IUPAC Namechloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane
SMILESC.Fc1ccc(S(F)(F)(F)(F)Cl)cc1
InChIInChI=1S/C6H4ClF5S.CH4/c7-13(9,10,11,12)6-3-1-5(8)2-4-6;/h1-4H;1H4
InChIKeyVHKQXPIURBZXMM-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.65
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane
CID 178092886
chloro-(3,4-difluorophenyl)-tetrafluoro-λ6-sulfane
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1,4-difluorobenzene bromide
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chloro-(4-chlorophenyl)-tetrafluoro-λ6-sulfane;1-chloro-4-(phenyldisulfanyl)benzene
CID 159307363
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-fluoro-4-methylbenzene;methane
CID 158431518
pentafluoro-(6-fluoronaphthalen-2-yl)-λ6-sulfane
CID 11637606
CID 136679384
CID 136679384
dichloro-tris(4-fluorophenyl)-λ5-phosphane
CID 22013252
dichloro-(4-fluorophenyl)borane
CID 119097665
4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
CID 86814929

Frequently Asked Questions

What is the IUPAC name of chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane?
The IUPAC name of chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane (CID 161299570) is chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane.
What is the SMILES notation for chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane?
The canonical SMILES for chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane is C.Fc1ccc(S(F)(F)(F)(F)Cl)cc1.
What is the InChIKey of chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane?
The InChIKey is VHKQXPIURBZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF5S.CH4/c7-13(9,10,11,12)6-3-1-5(8)2-4-6;/h1-4H;1H4.
What are the key properties of chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane?
chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane has a molecular weight of 254.65 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane is sourced from PubChem (CID 161299570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).