2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane

C12H10F6O2 — CID 87789221

IUPAC2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane
SMILESFC(F)C(F)(F)C(F)(F)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H10F6O2/c13-10(14)12(17,18)11(15,16)7-1-3-8(4-2-7)19-5-9-6-20-9/h1-4,9-10H,5-6H2
InChIKeyAKDGVLFNEAEVOM-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.46
Rot. Bonds6

About 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane

2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane (PubChem CID 87789221) has the molecular formula C12H10F6O2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane
PubChem CID87789221
Molecular FormulaC12H10F6O2
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Name2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane
SMILESFC(F)C(F)(F)C(F)(F)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C12H10F6O2/c13-10(14)12(17,18)11(15,16)7-1-3-8(4-2-7)19-5-9-6-20-9/h1-4,9-10H,5-6H2
InChIKeyAKDGVLFNEAEVOM-UHFFFAOYSA-N
XLogP3.46
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
1,3-bis[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 22946632
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
bis(oxiran-2-yl)-[4-(oxiran-2-ylmethoxy)phenyl]methanamine
CID 88585031
2-[[4-(1,1,2,2,3,3-hexachloropropyl)phenoxy]methyl]oxirane
CID 87501537
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
2-[[4-[2,2,2-trifluoro-1-[4-(oxiran-2-ylmethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl]oxirane
CID 102517668
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane (CID 87789221) is 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane is FC(F)C(F)(F)C(F)(F)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane?
The InChIKey is AKDGVLFNEAEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O2/c13-10(14)12(17,18)11(15,16)7-1-3-8(4-2-7)19-5-9-6-20-9/h1-4,9-10H,5-6H2.
What are the key properties of 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane?
2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane has a molecular weight of 300.20 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,1,2,2,3,3-hexafluoropropyl)phenoxy]methyl]oxirane is sourced from PubChem (CID 87789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).