10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol

C15H27F5O2S — CID 173258436

IUPAC10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol
SMILESCCCC(O)CCCCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F5O2S/c1-2-8-13(21)9-5-3-4-6-11-23(22)12-7-10-14(16,17)15(18,19)20/h13,21H,2-12H2,1H3
InChIKeyKXEACTAEMRLDTL-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.82
Rot. Bonds13

About 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol

10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol (PubChem CID 173258436) has the molecular formula C15H27F5O2S and a molecular weight of 366.44 g/mol. Its IUPAC name is 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol.

Molecular Properties

Compound Name10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol
PubChem CID173258436
Molecular FormulaC15H27F5O2S
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol
SMILESCCCC(O)CCCCCCS(=O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F5O2S/c1-2-8-13(21)9-5-3-4-6-11-23(22)12-7-10-14(16,17)15(18,19)20/h13,21H,2-12H2,1H3
InChIKeyKXEACTAEMRLDTL-UHFFFAOYSA-N
XLogP4.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[(4,4,5,5,5-Pentafluoropentyl)sulfanyl]nonan-1-ol
CID 53486377
1-(2-Hydroxydecylsulfinyl)decan-2-ol
CID 53471255
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)undecan-3-ol
CID 19032293
9-(4,4,5,5,5-Pentafluoropentylsulfonyl)nonan-1-ol
CID 88159627
7-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-1-ol
CID 88159655
11-(4,4,5,5,5-Pentafluoropentylsulfinyl)undecan-1-ol
CID 88159740
10-(4,4,5,5,5-Pentafluoropentylsulfonyl)decan-1-ol
CID 88159767
9-(4,4,5,5,5-Pentafluoropentylsulfinyl)nonan-1-ol
CID 88159846
7-(4,4,5,5,5-Pentafluoropentylsulfinyl)heptan-1-ol
CID 88160008
13-(4,4,5,5,5-Pentafluoropentylsulfonyl)tridecan-1-ol
CID 88160127
13-(4,4,5,5,5-Pentafluoropentylsulfinyl)tridecan-1-ol
CID 88160624
1-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-4-ol
CID 88160742

Frequently Asked Questions

What is the IUPAC name of 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol?
The IUPAC name of 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol (CID 173258436) is 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol.
What is the SMILES notation for 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol?
The canonical SMILES for 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol is CCCC(O)CCCCCCS(=O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol?
The InChIKey is KXEACTAEMRLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F5O2S/c1-2-8-13(21)9-5-3-4-6-11-23(22)12-7-10-14(16,17)15(18,19)20/h13,21H,2-12H2,1H3.
What are the key properties of 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol?
10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol has a molecular weight of 366.44 g/mol, XLogP of 4.82, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,5,5,5-pentafluoropentylsulfinyl)decan-4-ol is sourced from PubChem (CID 173258436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).