7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

C7H3ClF12O2S — CID 12711299

IUPAC7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESO=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3ClF12O2S/c8-23(21)22-1-3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H,1H2
InChIKeyOQKPPQMMKGXKDK-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.26
Rot. Bonds8

About 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (PubChem CID 12711299) has the molecular formula C7H3ClF12O2S and a molecular weight of 414.60 g/mol. Its IUPAC name is 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

Molecular Properties

Compound Name7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
PubChem CID12711299
Molecular FormulaC7H3ClF12O2S
Molecular Weight414.60 g/mol
Exact Mass413.94
IUPAC Name7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESO=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3ClF12O2S/c8-23(21)22-1-3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H,1H2
InChIKeyOQKPPQMMKGXKDK-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The IUPAC name of 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (CID 12711299) is 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.
What is the SMILES notation for 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The canonical SMILES for 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is O=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The InChIKey is OQKPPQMMKGXKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF12O2S/c8-23(21)22-1-3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H,1H2.
What are the key properties of 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane has a molecular weight of 414.60 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorosulfinyloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is sourced from PubChem (CID 12711299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).