4-anilino-2,3,5,6-tetrafluorobenzaldehyde

C13H7F4NO — CID 87575457

IUPAC4-anilino-2,3,5,6-tetrafluorobenzaldehyde
SMILESO=Cc1c(F)c(F)c(Nc2ccccc2)c(F)c1F
InChIInChI=1S/C13H7F4NO/c14-9-8(6-19)10(15)12(17)13(11(9)16)18-7-4-2-1-3-5-7/h1-6,18H
InChIKeyXNKILVKSZAVTBY-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.80
Rot. Bonds3

About 4-anilino-2,3,5,6-tetrafluorobenzaldehyde

4-anilino-2,3,5,6-tetrafluorobenzaldehyde (PubChem CID 87575457) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 4-anilino-2,3,5,6-tetrafluorobenzaldehyde.

Molecular Properties

Compound Name4-anilino-2,3,5,6-tetrafluorobenzaldehyde
PubChem CID87575457
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name4-anilino-2,3,5,6-tetrafluorobenzaldehyde
SMILESO=Cc1c(F)c(F)c(Nc2ccccc2)c(F)c1F
InChIInChI=1S/C13H7F4NO/c14-9-8(6-19)10(15)12(17)13(11(9)16)18-7-4-2-1-3-5-7/h1-6,18H
InChIKeyXNKILVKSZAVTBY-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,3,5,6-tetrafluorobenzaldehyde?
The IUPAC name of 4-anilino-2,3,5,6-tetrafluorobenzaldehyde (CID 87575457) is 4-anilino-2,3,5,6-tetrafluorobenzaldehyde.
What is the SMILES notation for 4-anilino-2,3,5,6-tetrafluorobenzaldehyde?
The canonical SMILES for 4-anilino-2,3,5,6-tetrafluorobenzaldehyde is O=Cc1c(F)c(F)c(Nc2ccccc2)c(F)c1F.
What is the InChIKey of 4-anilino-2,3,5,6-tetrafluorobenzaldehyde?
The InChIKey is XNKILVKSZAVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-9-8(6-19)10(15)12(17)13(11(9)16)18-7-4-2-1-3-5-7/h1-6,18H.
What are the key properties of 4-anilino-2,3,5,6-tetrafluorobenzaldehyde?
4-anilino-2,3,5,6-tetrafluorobenzaldehyde has a molecular weight of 269.20 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,3,5,6-tetrafluorobenzaldehyde is sourced from PubChem (CID 87575457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).