5-fluoropentane-1-sulfonate

C5H10FO3S- — CID 20976710

IUPAC5-fluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CCCCCF
InChIInChI=1S/C5H11FO3S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H,7,8,9)/p-1
InChIKeyHKJBBDJLKFUNKX-UHFFFAOYSA-M
MW169.20 g/mol
LogP0.67
Rot. Bonds5

About 5-fluoropentane-1-sulfonate

5-fluoropentane-1-sulfonate (PubChem CID 20976710) has the molecular formula C5H10FO3S- and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-fluoropentane-1-sulfonate.

Molecular Properties

Compound Name5-fluoropentane-1-sulfonate
PubChem CID20976710
Molecular FormulaC5H10FO3S-
Molecular Weight169.20 g/mol
Exact Mass169.03
IUPAC Name5-fluoropentane-1-sulfonate
SMILESO=S(=O)([O-])CCCCCF
InChIInChI=1S/C5H11FO3S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H,7,8,9)/p-1
InChIKeyHKJBBDJLKFUNKX-UHFFFAOYSA-M
XLogP0.67
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

undecane-1,11-disulfonate
CID 23618255
8-fluorooctane-1-sulfonate;pyridin-1-ium
CID 122481072
disodium;decane-1,10-disulfonate
CID 87519177
potassium 5-aminopentane-1-sulfonate
CID 139697240
lithium 2-fluoroethanesulfonate
CID 163830662
silver pentadecane-1-sulfonate
CID 102573896
CID 21277428
CID 21277428
12-fluorododecane-1-sulfonic acid
CID 122480998
lithium hexane-1-sulfonate
CID 87141758
10-bromodecane-1-sulfonate
CID 140608161
cesium hexane-1-sulfonate
CID 141317548
silver decane-1-sulfonate
CID 18615614

Frequently Asked Questions

What is the IUPAC name of 5-fluoropentane-1-sulfonate?
The IUPAC name of 5-fluoropentane-1-sulfonate (CID 20976710) is 5-fluoropentane-1-sulfonate.
What is the SMILES notation for 5-fluoropentane-1-sulfonate?
The canonical SMILES for 5-fluoropentane-1-sulfonate is O=S(=O)([O-])CCCCCF.
What is the InChIKey of 5-fluoropentane-1-sulfonate?
The InChIKey is HKJBBDJLKFUNKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11FO3S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H,7,8,9)/p-1.
What are the key properties of 5-fluoropentane-1-sulfonate?
5-fluoropentane-1-sulfonate has a molecular weight of 169.20 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentane-1-sulfonate is sourced from PubChem (CID 20976710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).