2-(4-fluoropentylsulfanyl)pentanoic acid

C10H19FO2S — CID 87339852

IUPAC2-(4-fluoropentylsulfanyl)pentanoic acid
SMILESCCCC(SCCCC(C)F)C(=O)O
InChIInChI=1S/C10H19FO2S/c1-3-5-9(10(12)13)14-7-4-6-8(2)11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRTISXTUAFNFSOP-UHFFFAOYSA-N
MW222.32 g/mol
LogP3.11
Rot. Bonds8

About 2-(4-fluoropentylsulfanyl)pentanoic acid

2-(4-fluoropentylsulfanyl)pentanoic acid (PubChem CID 87339852) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-(4-fluoropentylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-(4-fluoropentylsulfanyl)pentanoic acid
PubChem CID87339852
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Name2-(4-fluoropentylsulfanyl)pentanoic acid
SMILESCCCC(SCCCC(C)F)C(=O)O
InChIInChI=1S/C10H19FO2S/c1-3-5-9(10(12)13)14-7-4-6-8(2)11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRTISXTUAFNFSOP-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropentylsulfanyl)pentanoic acid?
The IUPAC name of 2-(4-fluoropentylsulfanyl)pentanoic acid (CID 87339852) is 2-(4-fluoropentylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-(4-fluoropentylsulfanyl)pentanoic acid?
The canonical SMILES for 2-(4-fluoropentylsulfanyl)pentanoic acid is CCCC(SCCCC(C)F)C(=O)O.
What is the InChIKey of 2-(4-fluoropentylsulfanyl)pentanoic acid?
The InChIKey is RTISXTUAFNFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-3-5-9(10(12)13)14-7-4-6-8(2)11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-fluoropentylsulfanyl)pentanoic acid?
2-(4-fluoropentylsulfanyl)pentanoic acid has a molecular weight of 222.32 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropentylsulfanyl)pentanoic acid is sourced from PubChem (CID 87339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).