4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde

C11H11F4NO — CID 20740980

IUPAC4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde
SMILESCCN(CC)c1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C11H11F4NO/c1-3-16(4-2)11-9(14)7(12)6(5-17)8(13)10(11)15/h5H,3-4H2,1-2H3
InChIKeyFEYASWVZMYXXBY-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.90
Rot. Bonds4

About 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde

4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde (PubChem CID 20740980) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde
PubChem CID20740980
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde
SMILESCCN(CC)c1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C11H11F4NO/c1-3-16(4-2)11-9(14)7(12)6(5-17)8(13)10(11)15/h5H,3-4H2,1-2H3
InChIKeyFEYASWVZMYXXBY-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
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-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde?
The IUPAC name of 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde (CID 20740980) is 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde.
What is the SMILES notation for 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde?
The canonical SMILES for 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde is CCN(CC)c1c(F)c(F)c(C=O)c(F)c1F.
What is the InChIKey of 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde?
The InChIKey is FEYASWVZMYXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-3-16(4-2)11-9(14)7(12)6(5-17)8(13)10(11)15/h5H,3-4H2,1-2H3.
What are the key properties of 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde?
4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde has a molecular weight of 249.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde is sourced from PubChem (CID 20740980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).