10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

C20H21F17S — CID 155310328

IUPAC10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESC=C=CCCCC(CCC)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H21F17S/c1-3-5-6-7-9-12(8-4-2)38-11-10-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h5,12H,1,4,6-11H2,2H3
InChIKeyLRATVCQSXMZXOG-UHFFFAOYSA-N
MW616.42 g/mol
LogP9.80
Rot. Bonds16

About 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane

10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (PubChem CID 155310328) has the molecular formula C20H21F17S and a molecular weight of 616.42 g/mol. Its IUPAC name is 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.

Molecular Properties

Compound Name10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
PubChem CID155310328
Molecular FormulaC20H21F17S
Molecular Weight616.42 g/mol
Exact Mass616.11
IUPAC Name10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
SMILESC=C=CCCCC(CCC)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H21F17S/c1-3-5-6-7-9-12(8-4-2)38-11-10-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h5,12H,1,4,6-11H2,2H3
InChIKeyLRATVCQSXMZXOG-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.42
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane with MolForge

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Related Compounds

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CID 23365973
15,15,16,16,16-Pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 54043595
1,1-Difluoro-6-propylsulfanylhex-1-ene
CID 91131275
7-Ethylsulfanyl-1,1-difluorohept-1-ene
CID 91260680
1,1-Difluoro-7-propylsulfanylhept-1-ene
CID 91558463
10-Deca-1,9-dien-5-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 122593493
2-(3,3-Difluoroprop-2-enyl)-2-pentyl-1,3-dithiane
CID 102156320
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
CID 132524330
10-(4,4,5,5,5-Pentafluoropentylsulfanyl)dec-1-ene
CID 162544768
1,1-Difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
CID 159696527

Frequently Asked Questions

What is the IUPAC name of 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The IUPAC name of 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane (CID 155310328) is 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane.
What is the SMILES notation for 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The canonical SMILES for 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is C=C=CCCCC(CCC)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
The InChIKey is LRATVCQSXMZXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F17S/c1-3-5-6-7-9-12(8-4-2)38-11-10-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h5,12H,1,4,6-11H2,2H3.
What are the key properties of 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane?
10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane has a molecular weight of 616.42 g/mol, XLogP of 9.80, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane is sourced from PubChem (CID 155310328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).