2-fluoropentyl methanesulfonate

C6H13FO3S — CID 139711248

IUPAC2-fluoropentyl methanesulfonate
SMILESCCCC(F)COS(C)(=O)=O
InChIInChI=1S/C6H13FO3S/c1-3-4-6(7)5-10-11(2,8)9/h6H,3-5H2,1-2H3
InChIKeyNBHQPAHXMRIRKW-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds5

About 2-fluoropentyl methanesulfonate

2-fluoropentyl methanesulfonate (PubChem CID 139711248) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-fluoropentyl methanesulfonate.

Molecular Properties

Compound Name2-fluoropentyl methanesulfonate
PubChem CID139711248
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-fluoropentyl methanesulfonate
SMILESCCCC(F)COS(C)(=O)=O
InChIInChI=1S/C6H13FO3S/c1-3-4-6(7)5-10-11(2,8)9/h6H,3-5H2,1-2H3
InChIKeyNBHQPAHXMRIRKW-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Butyl methanesulfonate
CID 15953
Pentyl methanesulfonate
CID 111883
1-Butanol, 4-fluoro-, methanesulfonate
CID 68965
Methanesulfonic acid, 6-fluorohexyl ester
CID 67700
2-Fluoro-2-methylpropyl methanesulfonate
CID 141377136
n-Pentyltriflate
CID 10987782
4,4,4-Trifluorobutyl methanesulfonate
CID 22725681
3-(18F)fluoropropyl methanesulfonate
CID 451316
4-Fluoropentyl methanesulfonate
CID 122217313
5,5-Difluorohexyl methanesulfonate
CID 177852196
3-Fluoropropyl methanesulfonate
CID 248388
5-Fluoropentyl methanesulfonate
CID 248389

Frequently Asked Questions

What is the IUPAC name of 2-fluoropentyl methanesulfonate?
The IUPAC name of 2-fluoropentyl methanesulfonate (CID 139711248) is 2-fluoropentyl methanesulfonate.
What is the SMILES notation for 2-fluoropentyl methanesulfonate?
The canonical SMILES for 2-fluoropentyl methanesulfonate is CCCC(F)COS(C)(=O)=O.
What is the InChIKey of 2-fluoropentyl methanesulfonate?
The InChIKey is NBHQPAHXMRIRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-3-4-6(7)5-10-11(2,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-fluoropentyl methanesulfonate?
2-fluoropentyl methanesulfonate has a molecular weight of 184.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropentyl methanesulfonate is sourced from PubChem (CID 139711248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).