methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate

C14H17FO3S — CID 134203548

IUPACmethyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FO3S/c1-14(13(16)18-2)9-3-4-12(14)19(17)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyDYFQDDIWWKHTGN-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate

methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate (PubChem CID 134203548) has the molecular formula C14H17FO3S and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate
PubChem CID134203548
Molecular FormulaC14H17FO3S
Molecular Weight284.35 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C)CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FO3S/c1-14(13(16)18-2)9-3-4-12(14)19(17)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyDYFQDDIWWKHTGN-UHFFFAOYSA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate (CID 134203548) is methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate is COC(=O)C1(C)CCCC1S(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate?
The InChIKey is DYFQDDIWWKHTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3S/c1-14(13(16)18-2)9-3-4-12(14)19(17)11-7-5-10(15)6-8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate?
methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)sulfinyl-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 134203548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).