5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde

C17H7F5O3 — CID 169333082

IUPAC5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3c(F)c(F)c(F)c(F)c3F)c2)o1
InChIInChI=1S/C17H7F5O3/c18-12-13(19)15(21)17(16(22)14(12)20)25-9-3-1-2-8(6-9)11-5-4-10(7-23)24-11/h1-7H
InChIKeyHOBLTDWYYIQUGJ-UHFFFAOYSA-N
MW354.23 g/mol
LogP5.25
Rot. Bonds4

About 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde

5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169333082) has the molecular formula C17H7F5O3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
PubChem CID169333082
Molecular FormulaC17H7F5O3
Molecular Weight354.23 g/mol
Exact Mass354.03
IUPAC Name5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3c(F)c(F)c(F)c(F)c3F)c2)o1
InChIInChI=1S/C17H7F5O3/c18-12-13(19)15(21)17(16(22)14(12)20)25-9-3-1-2-8(6-9)11-5-4-10(7-23)24-11/h1-7H
InChIKeyHOBLTDWYYIQUGJ-UHFFFAOYSA-N
XLogP5.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
5-(3-pyridin-2-yloxyphenyl)furan-2-carbaldehyde
CID 169333182
5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
CID 106886623
5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde
CID 169334067
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169333937
5-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]furan-2-carbaldehyde
CID 169332740
5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
CID 169334742
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde (CID 169333082) is 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(Oc3c(F)c(F)c(F)c(F)c3F)c2)o1.
What is the InChIKey of 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is HOBLTDWYYIQUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F5O3/c18-12-13(19)15(21)17(16(22)14(12)20)25-9-3-1-2-8(6-9)11-5-4-10(7-23)24-11/h1-7H.
What are the key properties of 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde?
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 354.23 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).