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

C10H10ClFO2 — CID 102548209

IUPAC2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
SMILESFc1ccc(COCC2CO2)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
InChIKeyRHXXBAINNGIYDR-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.39
Rot. Bonds4

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

2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane (PubChem CID 102548209) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
PubChem CID102548209
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
SMILESFc1ccc(COCC2CO2)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
InChIKeyRHXXBAINNGIYDR-UHFFFAOYSA-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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Related Compounds

(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 97180071
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
CID 123583235
2-[[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548175
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
CID 59790958
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
(2R)-2-[(2,3-dichlorophenyl)methoxymethyl]oxirane
CID 97180060
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane (CID 102548209) is 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane is Fc1ccc(COCC2CO2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
The InChIKey is RHXXBAINNGIYDR-UHFFFAOYSA-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.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane?
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 2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane is sourced from PubChem (CID 102548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).