(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane

C10H10ClFO2 — CID 97180071

IUPAC(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
SMILESFc1ccc(COC[C@@H]2CO2)cc1Cl
InChIInChI=1S/C10H10ClFO2/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-14-8/h1-3,8H,4-6H2/t8-/m1/s1
InChIKeyRHXXBAINNGIYDR-MRVPVSSYSA-N
MW216.64 g/mol
LogP2.39
Rot. Bonds4

About (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane

(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane (PubChem CID 97180071) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
PubChem CID97180071
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
SMILESFc1ccc(COC[C@@H]2CO2)cc1Cl
InChIInChI=1S/C10H10ClFO2/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-14-8/h1-3,8H,4-6H2/t8-/m1/s1
InChIKeyRHXXBAINNGIYDR-MRVPVSSYSA-N
XLogP2.39
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.39
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 (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The IUPAC name of (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane (CID 97180071) is (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane.
What is the SMILES notation for (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The canonical SMILES for (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane is Fc1ccc(COC[C@@H]2CO2)cc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The InChIKey is RHXXBAINNGIYDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-9-3-7(1-2-10(9)12)4-13-5-8-6-14-8/h1-3,8H,4-6H2/t8-/m1/s1.
What are the key properties of (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane has a molecular weight of 216.64 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane is sourced from PubChem (CID 97180071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).