4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol

C17H22F6O3 — CID 59234895

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)cc(CCC)c1O
InChIInChI=1S/C17H22F6O3/c1-4-6-11-8-13(9-12(7-5-2)14(11)24)15(16(18,19)20,17(21,22)23)26-10-25-3/h8-9,24H,4-7,10H2,1-3H3
InChIKeyZFLIKPHHIWTANE-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.24
Rot. Bonds8

About 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol

4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol (PubChem CID 59234895) has the molecular formula C17H22F6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol
PubChem CID59234895
Molecular FormulaC17H22F6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)cc(CCC)c1O
InChIInChI=1S/C17H22F6O3/c1-4-6-11-8-13(9-12(7-5-2)14(11)24)15(16(18,19)20,17(21,22)23)26-10-25-3/h8-9,24H,4-7,10H2,1-3H3
InChIKeyZFLIKPHHIWTANE-UHFFFAOYSA-N
XLogP5.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol (CID 59234895) is 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)cc(CCC)c1O.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol?
The InChIKey is ZFLIKPHHIWTANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O3/c1-4-6-11-8-13(9-12(7-5-2)14(11)24)15(16(18,19)20,17(21,22)23)26-10-25-3/h8-9,24H,4-7,10H2,1-3H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol?
4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol has a molecular weight of 388.35 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2,6-dipropylphenol is sourced from PubChem (CID 59234895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).