2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine

C10H8ClF6NO — CID 134373529

IUPAC2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(OCc1ccnc(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8ClF6NO/c1-8(9(12,13)14,10(15,16)17)19-5-6-2-3-18-7(11)4-6/h2-4H,5H2,1H3
InChIKeyLPZNMWJESHMART-UHFFFAOYSA-N
MW307.62 g/mol
LogP4.13
Rot. Bonds3

About 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine

2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine (PubChem CID 134373529) has the molecular formula C10H8ClF6NO and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine
PubChem CID134373529
Molecular FormulaC10H8ClF6NO
Molecular Weight307.62 g/mol
Exact Mass307.02
IUPAC Name2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(OCc1ccnc(Cl)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8ClF6NO/c1-8(9(12,13)14,10(15,16)17)19-5-6-2-3-18-7(11)4-6/h2-4H,5H2,1H3
InChIKeyLPZNMWJESHMART-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine?
The IUPAC name of 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine (CID 134373529) is 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine is CC(OCc1ccnc(Cl)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine?
The InChIKey is LPZNMWJESHMART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF6NO/c1-8(9(12,13)14,10(15,16)17)19-5-6-2-3-18-7(11)4-6/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine?
2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine has a molecular weight of 307.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 134373529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).