2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane

C10H14F6O2 — CID 143403551

IUPAC2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane
SMILESCC(CCCOCC1CO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-8(9(11,12)13,10(14,15)16)3-2-4-17-5-7-6-18-7/h7H,2-6H2,1H3
InChIKeyNBCBEDLOHWGEGT-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.31
Rot. Bonds6

About 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane

2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane (PubChem CID 143403551) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane
PubChem CID143403551
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane
SMILESCC(CCCOCC1CO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-8(9(11,12)13,10(14,15)16)3-2-4-17-5-7-6-18-7/h7H,2-6H2,1H3
InChIKeyNBCBEDLOHWGEGT-UHFFFAOYSA-N
XLogP3.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane?
The IUPAC name of 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane (CID 143403551) is 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane.
What is the SMILES notation for 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane?
The canonical SMILES for 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane is CC(CCCOCC1CO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane?
The InChIKey is NBCBEDLOHWGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2/c1-8(9(11,12)13,10(14,15)16)3-2-4-17-5-7-6-18-7/h7H,2-6H2,1H3.
What are the key properties of 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane?
2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane has a molecular weight of 280.21 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane is sourced from PubChem (CID 143403551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).