2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene

C14H16F6O2 — CID 130369329

IUPAC2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
SMILESCCC(C)OCCOc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C14H16F6O2/c1-3-9(2)21-7-8-22-12-10(13(15,16)17)5-4-6-11(12)14(18,19)20/h4-6,9H,3,7-8H2,1-2H3
InChIKeyAFAPVYRXJFIEKY-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.92
Rot. Bonds6

About 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene

2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene (PubChem CID 130369329) has the molecular formula C14H16F6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
PubChem CID130369329
Molecular FormulaC14H16F6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Name2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
SMILESCCC(C)OCCOc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C14H16F6O2/c1-3-9(2)21-7-8-22-12-10(13(15,16)17)5-4-6-11(12)14(18,19)20/h4-6,9H,3,7-8H2,1-2H3
InChIKeyAFAPVYRXJFIEKY-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene (CID 130369329) is 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene is CCC(C)OCCOc1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene?
The InChIKey is AFAPVYRXJFIEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O2/c1-3-9(2)21-7-8-22-12-10(13(15,16)17)5-4-6-11(12)14(18,19)20/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene?
2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene has a molecular weight of 330.27 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 130369329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).