2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane

C14H25F5O6 — CID 151701925

IUPAC2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
SMILESCCCOC(OC)(OC(C)C)C(C)(OC(F)(F)F)OC(F)(F)OCC
InChIInChI=1S/C14H25F5O6/c1-7-9-22-12(20-6,23-10(3)4)11(5,24-13(15,16)17)25-14(18,19)21-8-2/h10H,7-9H2,1-6H3
InChIKeyREUBQZKKVWVKQF-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.99
Rot. Bonds12

About 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane

2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane (PubChem CID 151701925) has the molecular formula C14H25F5O6 and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
PubChem CID151701925
Molecular FormulaC14H25F5O6
Molecular Weight384.34 g/mol
Exact Mass384.16
IUPAC Name2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane
SMILESCCCOC(OC)(OC(C)C)C(C)(OC(F)(F)F)OC(F)(F)OCC
InChIInChI=1S/C14H25F5O6/c1-7-9-22-12(20-6,23-10(3)4)11(5,24-13(15,16)17)25-14(18,19)21-8-2/h10H,7-9H2,1-6H3
InChIKeyREUBQZKKVWVKQF-UHFFFAOYSA-N
XLogP3.99
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-2-(2-ethoxy-3-methoxybutan-2-yl)oxy-2-methyl-3-propan-2-yloxy-3-propoxypropanoic acid
CID 150942263
[2-(difluoromethoxy)-2-methylsulfanyl-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)ethyl] thiohypofluorite
CID 141199388
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
[1-butan-2-yloxy-1-butoxy-3-ethoxy-2-(methoxymethyl)-1-(2-methylpropoxy)-3-propan-2-yloxy-3-propoxypropan-2-yl] hypofluorite
CID 148549830
[butan-2-yloxy-(1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-1-propoxypropan-2-yl)oxy-(2-methylpropoxy)methyl] thiohypofluorite
CID 154422207
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
1-(ethoxy-propan-2-yloxy-propoxymethoxy)-1-methoxycyclohexane
CID 142649775
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
CID 22916515
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
CID 151582947
2-methoxy-4,6-dimethyl-4-propoxyheptane
CID 135038604
1-(1,1-dipropoxyethoxy)propane
CID 21433420

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane?
The IUPAC name of 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane (CID 151701925) is 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane.
What is the SMILES notation for 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane?
The canonical SMILES for 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane is CCCOC(OC)(OC(C)C)C(C)(OC(F)(F)F)OC(F)(F)OCC.
What is the InChIKey of 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane?
The InChIKey is REUBQZKKVWVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F5O6/c1-7-9-22-12(20-6,23-10(3)4)11(5,24-13(15,16)17)25-14(18,19)21-8-2/h10H,7-9H2,1-6H3.
What are the key properties of 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane?
2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane has a molecular weight of 384.34 g/mol, XLogP of 3.99, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(difluoro)methoxy]-1-methoxy-1-propan-2-yloxy-1-propoxy-2-(trifluoromethoxy)propane is sourced from PubChem (CID 151701925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).