2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane

C12H23FO2 — CID 163584927

IUPAC2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane
SMILESCC(CC(C)(C)C(C)CF)OCC1CO1
InChIInChI=1S/C12H23FO2/c1-9(6-13)12(3,4)5-10(2)14-7-11-8-15-11/h9-11H,5-8H2,1-4H3
InChIKeyGKRFWNTUIIIXPA-UHFFFAOYSA-N
MW218.31 g/mol
LogP2.81
Rot. Bonds7

About 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane

2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane (PubChem CID 163584927) has the molecular formula C12H23FO2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane
PubChem CID163584927
Molecular FormulaC12H23FO2
Molecular Weight218.31 g/mol
Exact Mass218.17
IUPAC Name2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane
SMILESCC(CC(C)(C)C(C)CF)OCC1CO1
InChIInChI=1S/C12H23FO2/c1-9(6-13)12(3,4)5-10(2)14-7-11-8-15-11/h9-11H,5-8H2,1-4H3
InChIKeyGKRFWNTUIIIXPA-UHFFFAOYSA-N
XLogP2.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 52.81
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

2-(1-Fluoroethoxy)-2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 134445561
2-[(2-Ethyl-1-fluorohexoxy)methyl]oxirane
CID 150169150
2-[[2-Ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane
CID 167083320
2-(4,4-Dimethylpentoxymethyl)oxirane
CID 20596258
2-(4-Methylhexan-2-yloxymethyl)oxirane
CID 118245906
2-(2,2-Dimethylpentoxymethyl)oxirane
CID 135258410
2-(2-Ethylpentoxymethyl)oxirane
CID 151568167
2-(3,4-Dimethylhexoxymethyl)oxirane
CID 20328126
2-(2,2,4-Trimethylpentoxymethyl)oxirane
CID 21613310
2-(3,5,5-Trimethylhexoxymethyl)oxirane
CID 21845237
2-(2-Propylpentoxymethyl)oxirane
CID 23363524
2-(5,5-Dimethylhexan-3-yloxymethyl)oxirane
CID 59916957

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane (CID 163584927) is 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane is CC(CC(C)(C)C(C)CF)OCC1CO1.
What is the InChIKey of 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane?
The InChIKey is GKRFWNTUIIIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2/c1-9(6-13)12(3,4)5-10(2)14-7-11-8-15-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane?
2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane has a molecular weight of 218.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-4,4,5-trimethylhexan-2-yl)oxymethyl]oxirane is sourced from PubChem (CID 163584927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).