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

C8H12ClF5S — CID 87922048

IUPAC5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESCCC(Cl)SCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H12ClF5S/c1-2-6(9)15-5-3-4-7(10,11)8(12,13)14/h6H,2-5H2,1H3
InChIKeyHUQOFXMOVJAKAG-UHFFFAOYSA-N
MW270.69 g/mol
LogP4.67
Rot. Bonds6

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

5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane (PubChem CID 87922048) has the molecular formula C8H12ClF5S and a molecular weight of 270.69 g/mol. Its IUPAC name is 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane.

Molecular Properties

Compound Name5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
PubChem CID87922048
Molecular FormulaC8H12ClF5S
Molecular Weight270.69 g/mol
Exact Mass270.03
IUPAC Name5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane
SMILESCCC(Cl)SCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H12ClF5S/c1-2-6(9)15-5-3-4-7(10,11)8(12,13)14/h6H,2-5H2,1H3
InChIKeyHUQOFXMOVJAKAG-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 54.67
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

8-(4-Chlorobutylsulfanyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 168447720
2-Chloroethyl-(3,3,3-trifluoropropyl)-(3,3,3-trifluoropropylsulfanyl)sulfanium
CID 132820623
1,1-Dichloro-2,2,3,3,4,4,5,5-octafluoro-1-(propylsulfanyl)pentane
CID 15938575
1-(2-Chloro-1,1,2-trifluoroethyl)sulfanylhexane
CID 19782013
Pentane, 5-[(4-chlorobutyl)thio]-1,1,1,2,2-pentafluoro-
CID 21703587
5-Chloropentyl 4,4,5,5,5-pentafluoropentyl sulphide
CID 22123624
Pentane, 5-[(3-chloropropyl)thio]-1,1,1,2,2-pentafluoro-
CID 23497076
2-Chloro-1-(trifluoromethylsulfanyl)pentane
CID 58019344
8-(2-Chloroethylsulfanyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 86104871
3-Chloropropyl 3,3,3-trifluoropropyl sulfide
CID 86696794
1-Chloro-5-(3,3,3-trifluoropropylsulfanyl)pentane
CID 86696797
4-(4-Chlorobutylsulfanyl)-1,1,1,2,2-pentafluorobutane
CID 86696798

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The IUPAC name of 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane (CID 87922048) is 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane.
What is the SMILES notation for 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The canonical SMILES for 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane is CCC(Cl)SCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
The InChIKey is HUQOFXMOVJAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF5S/c1-2-6(9)15-5-3-4-7(10,11)8(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane?
5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane has a molecular weight of 270.69 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropylsulfanyl)-1,1,1,2,2-pentafluoropentane is sourced from PubChem (CID 87922048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).