3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran

C12H10F4O2 — CID 177425365

IUPAC3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran
SMILESCOc1ccc(C2OC=CC(F)(F)C2(F)F)cc1
InChIInChI=1S/C12H10F4O2/c1-17-9-4-2-8(3-5-9)10-12(15,16)11(13,14)6-7-18-10/h2-7,10H,1H3
InChIKeyALMXMWWQZDWQEA-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.55
Rot. Bonds2

About 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran

3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran (PubChem CID 177425365) has the molecular formula C12H10F4O2 and a molecular weight of 262.20 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran
PubChem CID177425365
Molecular FormulaC12H10F4O2
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran
SMILESCOc1ccc(C2OC=CC(F)(F)C2(F)F)cc1
InChIInChI=1S/C12H10F4O2/c1-17-9-4-2-8(3-5-9)10-12(15,16)11(13,14)6-7-18-10/h2-7,10H,1H3
InChIKeyALMXMWWQZDWQEA-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran?
The IUPAC name of 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran (CID 177425365) is 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran?
The canonical SMILES for 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran is COc1ccc(C2OC=CC(F)(F)C2(F)F)cc1.
What is the InChIKey of 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran?
The InChIKey is ALMXMWWQZDWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O2/c1-17-9-4-2-8(3-5-9)10-12(15,16)11(13,14)6-7-18-10/h2-7,10H,1H3.
What are the key properties of 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran?
3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran has a molecular weight of 262.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2-(4-methoxyphenyl)-2H-pyran is sourced from PubChem (CID 177425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).