5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde

C13H6F6O2 — CID 737210

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H6F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-6H
InChIKeyLVHIVPKNRURKIV-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.80
Rot. Bonds2

About 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde

5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 737210) has the molecular formula C13H6F6O2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID737210
Molecular FormulaC13H6F6O2
Molecular Weight308.18 g/mol
Exact Mass308.03
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H6F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-6H
InChIKeyLVHIVPKNRURKIV-UHFFFAOYSA-N
XLogP4.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 737210) is 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is LVHIVPKNRURKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-6H.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 308.18 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).