(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane

C12H15FO2S — CID 134992935

IUPAC(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
SMILESCc1ccc([S@](=O)C[C@@]2(CCF)CO2)cc1
InChIInChI=1S/C12H15FO2S/c1-10-2-4-11(5-3-10)16(14)9-12(6-7-13)8-15-12/h2-5H,6-9H2,1H3/t12-,16-/m1/s1
InChIKeyHWKRMKMQPNKYLU-MLGOLLRUSA-N
MW242.31 g/mol
LogP2.23
Rot. Bonds5

About (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane

(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane (PubChem CID 134992935) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
PubChem CID134992935
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
SMILESCc1ccc([S@](=O)C[C@@]2(CCF)CO2)cc1
InChIInChI=1S/C12H15FO2S/c1-10-2-4-11(5-3-10)16(14)9-12(6-7-13)8-15-12/h2-5H,6-9H2,1H3/t12-,16-/m1/s1
InChIKeyHWKRMKMQPNKYLU-MLGOLLRUSA-N
XLogP2.23
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane?
The IUPAC name of (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane (CID 134992935) is (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane.
What is the SMILES notation for (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane?
The canonical SMILES for (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane is Cc1ccc([S@](=O)C[C@@]2(CCF)CO2)cc1.
What is the InChIKey of (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane?
The InChIKey is HWKRMKMQPNKYLU-MLGOLLRUSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-10-2-4-11(5-3-10)16(14)9-12(6-7-13)8-15-12/h2-5H,6-9H2,1H3/t12-,16-/m1/s1.
What are the key properties of (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane?
(2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane has a molecular weight of 242.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane is sourced from PubChem (CID 134992935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).