5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane

C10H16ClF5S — CID 22123624

IUPAC5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESFC(F)(F)C(F)(F)CCCSCCCCCCl
InChIInChI=1S/C10H16ClF5S/c11-6-2-1-3-7-17-8-4-5-9(12,13)10(14,15)16/h1-8H2
InChIKeyNWYWKCAGAKVBND-UHFFFAOYSA-N
MW298.75 g/mol
LogP5.11
Rot. Bonds9

About 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane

5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane (PubChem CID 22123624) has the molecular formula C10H16ClF5S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane.

Molecular Properties

Compound Name5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane
PubChem CID22123624
Molecular FormulaC10H16ClF5S
Molecular Weight298.75 g/mol
Exact Mass298.06
IUPAC Name5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESFC(F)(F)C(F)(F)CCCSCCCCCCl
InChIInChI=1S/C10H16ClF5S/c11-6-2-1-3-7-17-8-4-5-9(12,13)10(14,15)16/h1-8H2
InChIKeyNWYWKCAGAKVBND-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.75
LogP ≤ 55.11
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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Related Compounds

(4-Chlorobutyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfane
CID 168447720
Pentane, 5-[(4-chlorobutyl)thio]-1,1,1,2,2-pentafluoro-
CID 21703587
Pentane, 5-[(3-chloropropyl)thio]-1,1,1,2,2-pentafluoro-
CID 23497076
1-Chloro-5-(trifluoromethylsulfanyl)pentane
CID 85783141
9-Chloro-5-(9-chloro-1,1,1,2,2-pentafluorononan-5-yl)sulfanyl-1,1,1,2,2-pentafluorononane
CID 86696792
7-Chloro-4-(7-chloro-1,1,1,2,2-pentafluoroheptan-4-yl)sulfanyl-1,1,1,2,2-pentafluoroheptane
CID 86696793
7-Chloro-4-(7-chloro-1,1,1-trifluoroheptan-4-yl)sulfanyl-1,1,1-trifluoroheptane
CID 86696795
9-Chloro-6-(1-chloro-8,8,9,9,9-pentafluorononan-4-yl)sulfanyl-1,1,1,2,2-pentafluorononane
CID 86696796
1-Chloro-5-(3,3,3-trifluoropropylsulfanyl)pentane
CID 86696797
4-(4-Chlorobutylsulfanyl)-1,1,1,2,2-pentafluorobutane
CID 86696798
4-Chlorobutyl 4,4,4-trifluorobutyl sulphide
CID 86696799
9-Chloro-6-(1-chloro-9,9,9-trifluorononan-4-yl)sulfanyl-1,1,1-trifluorononane
CID 86696800

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The IUPAC name of 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane (CID 22123624) is 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane.
What is the SMILES notation for 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The canonical SMILES for 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane is FC(F)(F)C(F)(F)CCCSCCCCCCl.
What is the InChIKey of 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The InChIKey is NWYWKCAGAKVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF5S/c11-6-2-1-3-7-17-8-4-5-9(12,13)10(14,15)16/h1-8H2.
What are the key properties of 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane?
5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane has a molecular weight of 298.75 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropentylsulfanyl)-1,1,1,2,2-pentafluoropentane is sourced from PubChem (CID 22123624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).