2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane

C10H8F3IO2 — CID 88635335

IUPAC2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane
SMILESCc1c(F)c(F)c(I)c(OCC2CO2)c1F
InChIInChI=1S/C10H8F3IO2/c1-4-6(11)8(13)9(14)10(7(4)12)16-3-5-2-15-5/h5H,2-3H2,1H3
InChIKeyOOHPCIDAMCNDOK-UHFFFAOYSA-N
MW344.07 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane

2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane (PubChem CID 88635335) has the molecular formula C10H8F3IO2 and a molecular weight of 344.07 g/mol. Its IUPAC name is 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane
PubChem CID88635335
Molecular FormulaC10H8F3IO2
Molecular Weight344.07 g/mol
Exact Mass343.95
IUPAC Name2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane
SMILESCc1c(F)c(F)c(I)c(OCC2CO2)c1F
InChIInChI=1S/C10H8F3IO2/c1-4-6(11)8(13)9(14)10(7(4)12)16-3-5-2-15-5/h5H,2-3H2,1H3
InChIKeyOOHPCIDAMCNDOK-UHFFFAOYSA-N
XLogP2.79
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxirane
CID 101432995
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-[[2,3,5,6-tetrabromo-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 57190292
2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
CID 87199464
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
2-[(2,3,4,5,6-pentabromophenoxy)methyl]oxirane
CID 71364739
2,3,5,6,7-pentamethyl-4-(oxiran-2-ylmethoxy)-1-benzofuran
CID 18726809
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
2-[(2,3,4,5-tetramethyl-6-phenylphenoxy)methyl]oxirane
CID 141498552
2-[[2,3,4-tris(1-adamantyl)-6-methyl-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 87124678
4-amino-2-iodo-6-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]-3-(oxiran-2-ylmethoxy)benzenethiol
CID 129210392
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane (CID 88635335) is 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane is Cc1c(F)c(F)c(I)c(OCC2CO2)c1F.
What is the InChIKey of 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane?
The InChIKey is OOHPCIDAMCNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IO2/c1-4-6(11)8(13)9(14)10(7(4)12)16-3-5-2-15-5/h5H,2-3H2,1H3.
What are the key properties of 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane?
2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane has a molecular weight of 344.07 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trifluoro-6-iodo-3-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 88635335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).