2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane

C15H31F3O3 — CID 174860691

IUPAC2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
SMILESCCC.CCC1CO1.CCCCOCC1CO1.FC(F)F
InChIInChI=1S/C7H14O2.C4H8O.C3H8.CHF3/c1-2-3-4-8-5-7-6-9-7;1-2-4-3-5-4;1-3-2;2-1(3)4/h7H,2-6H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1H
InChIKeyJYXHEDKRARNJGK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.59
Rot. Bonds6

About 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane

2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane (PubChem CID 174860691) has the molecular formula C15H31F3O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane.

Molecular Properties

Compound Name2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
PubChem CID174860691
Molecular FormulaC15H31F3O3
Molecular Weight316.40 g/mol
Exact Mass316.22
IUPAC Name2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
SMILESCCC.CCC1CO1.CCCCOCC1CO1.FC(F)F
InChIInChI=1S/C7H14O2.C4H8O.C3H8.CHF3/c1-2-3-4-8-5-7-6-9-7;1-2-4-3-5-4;1-3-2;2-1(3)4/h7H,2-6H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1H
InChIKeyJYXHEDKRARNJGK-UHFFFAOYSA-N
XLogP4.59
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
CID 161498038
2-(butoxymethyl)oxirane;oxonane
CID 20569142
2-(propoxymethyl)oxirane
CID 18406

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane?
The IUPAC name of 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane (CID 174860691) is 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane.
What is the SMILES notation for 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane?
The canonical SMILES for 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane is CCC.CCC1CO1.CCCCOCC1CO1.FC(F)F.
What is the InChIKey of 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane?
The InChIKey is JYXHEDKRARNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H8O.C3H8.CHF3/c1-2-3-4-8-5-7-6-9-7;1-2-4-3-5-4;1-3-2;2-1(3)4/h7H,2-6H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1H.
What are the key properties of 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane?
2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane has a molecular weight of 316.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane is sourced from PubChem (CID 174860691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).