10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane

C20H30Cl2F10S — CID 141373597

IUPAC10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane
SMILESFC(F)(F)C(F)(F)CCC(CCCCCCl)SC(CCCCCCl)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H30Cl2F10S/c21-13-5-1-3-7-15(9-11-17(23,24)19(27,28)29)33-16(8-4-2-6-14-22)10-12-18(25,26)20(30,31)32/h15-16H,1-14H2
InChIKeyJLHNDOWJJLWGTI-UHFFFAOYSA-N
MW563.41 g/mol
LogP10.01
Rot. Bonds18

About 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane

10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane (PubChem CID 141373597) has the molecular formula C20H30Cl2F10S and a molecular weight of 563.41 g/mol. Its IUPAC name is 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane.

Molecular Properties

Compound Name10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane
PubChem CID141373597
Molecular FormulaC20H30Cl2F10S
Molecular Weight563.41 g/mol
Exact Mass562.13
IUPAC Name10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane
SMILESFC(F)(F)C(F)(F)CCC(CCCCCCl)SC(CCCCCCl)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H30Cl2F10S/c21-13-5-1-3-7-15(9-11-17(23,24)19(27,28)29)33-16(8-4-2-6-14-22)10-12-18(25,26)20(30,31)32/h15-16H,1-14H2
InChIKeyJLHNDOWJJLWGTI-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.41
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane?
The IUPAC name of 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane (CID 141373597) is 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane.
What is the SMILES notation for 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane?
The canonical SMILES for 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane is FC(F)(F)C(F)(F)CCC(CCCCCCl)SC(CCCCCCl)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane?
The InChIKey is JLHNDOWJJLWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2F10S/c21-13-5-1-3-7-15(9-11-17(23,24)19(27,28)29)33-16(8-4-2-6-14-22)10-12-18(25,26)20(30,31)32/h15-16H,1-14H2.
What are the key properties of 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane?
10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane has a molecular weight of 563.41 g/mol, XLogP of 10.01, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-5-(10-chloro-1,1,1,2,2-pentafluorodecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorodecane is sourced from PubChem (CID 141373597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).