2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane

C7H3F15OS — CID 12653219

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C7H3F15OS/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-23-24(20,21)22/h2H,1H2
InChIKeyQXEBZNLPQLPKFI-UHFFFAOYSA-N
MW420.14 g/mol
LogP5.82
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane (PubChem CID 12653219) has the molecular formula C7H3F15OS and a molecular weight of 420.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
PubChem CID12653219
Molecular FormulaC7H3F15OS
Molecular Weight420.14 g/mol
Exact Mass419.97
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F
InChIInChI=1S/C7H3F15OS/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-23-24(20,21)22/h2H,1H2
InChIKeyQXEBZNLPQLPKFI-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.14
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methyl sulfate
CID 148576735
CID 58700662
CID 58700662
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318
1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctoxy)-1,3,5,2,4,6-triazatriphosphinane
CID 162345591
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acetate
CID 13155363
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
CID 99769595
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) but-2-enedioate
CID 73182527
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecoxy)undecane
CID 88791163

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane (CID 12653219) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane?
The InChIKey is QXEBZNLPQLPKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F15OS/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-23-24(20,21)22/h2H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane has a molecular weight of 420.14 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane is sourced from PubChem (CID 12653219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).