4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine

C19H21F6NO3 — CID 174630958

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1O.c1ccncc1
InChIInChI=1S/C14H16F6O3.C5H5N/c1-3-4-9-7-10(5-6-11(9)21)12(13(15,16)17,14(18,19)20)23-8-22-2;1-2-4-6-5-3-1/h5-7,21H,3-4,8H2,1-2H3;1-5H
InChIKeyQGWCJSJVXTWEME-UHFFFAOYSA-N
MW425.37 g/mol
LogP5.37
Rot. Bonds6

About 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine

4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine (PubChem CID 174630958) has the molecular formula C19H21F6NO3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine
PubChem CID174630958
Molecular FormulaC19H21F6NO3
Molecular Weight425.37 g/mol
Exact Mass425.14
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine
SMILESCCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1O.c1ccncc1
InChIInChI=1S/C14H16F6O3.C5H5N/c1-3-4-9-7-10(5-6-11(9)21)12(13(15,16)17,14(18,19)20)23-8-22-2;1-2-4-6-5-3-1/h5-7,21H,3-4,8H2,1-2H3;1-5H
InChIKeyQGWCJSJVXTWEME-UHFFFAOYSA-N
XLogP5.37
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propylphenol;pyridine?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine (CID 174630958) is 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1O.c1ccncc1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine?
The InChIKey is QGWCJSJVXTWEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6O3.C5H5N/c1-3-4-9-7-10(5-6-11(9)21)12(13(15,16)17,14(18,19)20)23-8-22-2;1-2-4-6-5-3-1/h5-7,21H,3-4,8H2,1-2H3;1-5H.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine?
4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol;pyridine has a molecular weight of 425.37 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-propylphenol;pyridine is sourced from PubChem (CID 174630958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).