[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol

C12H9F4NO2 — CID 107643965

IUPAC[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C12H9F4NO2/c13-8-3-9(14)11(16)12(10(8)15)17-4-6-1-2-7(5-18)19-6/h1-3,17-18H,4-5H2
InChIKeyUOLFDNROCZQWCA-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.94
Rot. Bonds4

About [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol

[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol (PubChem CID 107643965) has the molecular formula C12H9F4NO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
PubChem CID107643965
Molecular FormulaC12H9F4NO2
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C12H9F4NO2/c13-8-3-9(14)11(16)12(10(8)15)17-4-6-1-2-7(5-18)19-6/h1-3,17-18H,4-5H2
InChIKeyUOLFDNROCZQWCA-UHFFFAOYSA-N
XLogP2.94
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol (CID 107643965) is [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol?
The InChIKey is UOLFDNROCZQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO2/c13-8-3-9(14)11(16)12(10(8)15)17-4-6-1-2-7(5-18)19-6/h1-3,17-18H,4-5H2.
What are the key properties of [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol?
[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol has a molecular weight of 275.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 107643965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).