(5-ethyl-2-fluorophenyl)methyl methanesulfonate

C10H13FO3S — CID 130132959

IUPAC(5-ethyl-2-fluorophenyl)methyl methanesulfonate
SMILESCCc1ccc(F)c(COS(C)(=O)=O)c1
InChIInChI=1S/C10H13FO3S/c1-3-8-4-5-10(11)9(6-8)7-14-15(2,12)13/h4-6H,3,7H2,1-2H3
InChIKeyWSBHQHYVZHREDY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds4

About (5-ethyl-2-fluorophenyl)methyl methanesulfonate

(5-ethyl-2-fluorophenyl)methyl methanesulfonate (PubChem CID 130132959) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is (5-ethyl-2-fluorophenyl)methyl methanesulfonate.

Molecular Properties

Compound Name(5-ethyl-2-fluorophenyl)methyl methanesulfonate
PubChem CID130132959
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name(5-ethyl-2-fluorophenyl)methyl methanesulfonate
SMILESCCc1ccc(F)c(COS(C)(=O)=O)c1
InChIInChI=1S/C10H13FO3S/c1-3-8-4-5-10(11)9(6-8)7-14-15(2,12)13/h4-6H,3,7H2,1-2H3
InChIKeyWSBHQHYVZHREDY-UHFFFAOYSA-N
XLogP1.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethyl-2-fluorophenyl)methyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
(3,4,5-trifluorophenyl)methyl methanesulfonate
CID 102620887
(4-bromo-3,5-difluorophenyl)methyl methanesulfonate
CID 87167412
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
(5-bromo-2-fluoro-4-methylphenyl)methyl methanesulfonate
CID 122414232
(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
(2-chloro-5-fluorophenyl)methyl methanesulfonate
CID 139022578
1-bromo-3-(5-ethyl-2-fluorophenyl)propan-2-one
CID 134616896
(4-methylphenyl)methyl methanesulfonate
CID 22896234
[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methyl methanesulfonate
CID 53328323
[4-(trifluoromethoxy)phenyl]methyl methanesulfonate
CID 21265728

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-fluorophenyl)methyl methanesulfonate?
The IUPAC name of (5-ethyl-2-fluorophenyl)methyl methanesulfonate (CID 130132959) is (5-ethyl-2-fluorophenyl)methyl methanesulfonate.
What is the SMILES notation for (5-ethyl-2-fluorophenyl)methyl methanesulfonate?
The canonical SMILES for (5-ethyl-2-fluorophenyl)methyl methanesulfonate is CCc1ccc(F)c(COS(C)(=O)=O)c1.
What is the InChIKey of (5-ethyl-2-fluorophenyl)methyl methanesulfonate?
The InChIKey is WSBHQHYVZHREDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-3-8-4-5-10(11)9(6-8)7-14-15(2,12)13/h4-6H,3,7H2,1-2H3.
What are the key properties of (5-ethyl-2-fluorophenyl)methyl methanesulfonate?
(5-ethyl-2-fluorophenyl)methyl methanesulfonate has a molecular weight of 232.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-fluorophenyl)methyl methanesulfonate is sourced from PubChem (CID 130132959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).