2-(3-fluoropropylsulfinyl)hexanoic acid

C9H17FO3S — CID 87340223

IUPAC2-(3-fluoropropylsulfinyl)hexanoic acid
SMILESCCCCC(C(=O)O)S(=O)CCCF
InChIInChI=1S/C9H17FO3S/c1-2-3-5-8(9(11)12)14(13)7-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyCBOCNJWUXQRNLS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds8

About 2-(3-fluoropropylsulfinyl)hexanoic acid

2-(3-fluoropropylsulfinyl)hexanoic acid (PubChem CID 87340223) has the molecular formula C9H17FO3S and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)hexanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)hexanoic acid
PubChem CID87340223
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Name2-(3-fluoropropylsulfinyl)hexanoic acid
SMILESCCCCC(C(=O)O)S(=O)CCCF
InChIInChI=1S/C9H17FO3S/c1-2-3-5-8(9(11)12)14(13)7-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyCBOCNJWUXQRNLS-UHFFFAOYSA-N
XLogP1.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23195213
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CID 87339852
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CID 87339897
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CID 87339904
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CID 87339949
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)hexanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfinyl)hexanoic acid (CID 87340223) is 2-(3-fluoropropylsulfinyl)hexanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)hexanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)hexanoic acid is CCCCC(C(=O)O)S(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)hexanoic acid?
The InChIKey is CBOCNJWUXQRNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3S/c1-2-3-5-8(9(11)12)14(13)7-4-6-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(3-fluoropropylsulfinyl)hexanoic acid?
2-(3-fluoropropylsulfinyl)hexanoic acid has a molecular weight of 224.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)hexanoic acid is sourced from PubChem (CID 87340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).