4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde

C15H13ClFNO — CID 123581811

IUPAC4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde
SMILESCC(F)c1cc(Nc2ccc(C=O)cc2)ccc1Cl
InChIInChI=1S/C15H13ClFNO/c1-10(17)14-8-13(6-7-15(14)16)18-12-4-2-11(9-19)3-5-12/h2-10,18H,1H3
InChIKeyQHBMFUIAROEFOH-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.93
Rot. Bonds4

About 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde

4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde (PubChem CID 123581811) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde.

Molecular Properties

Compound Name4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde
PubChem CID123581811
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde
SMILESCC(F)c1cc(Nc2ccc(C=O)cc2)ccc1Cl
InChIInChI=1S/C15H13ClFNO/c1-10(17)14-8-13(6-7-15(14)16)18-12-4-2-11(9-19)3-5-12/h2-10,18H,1H3
InChIKeyQHBMFUIAROEFOH-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.93
H-Bond Donors ≤ 51
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 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde?
The IUPAC name of 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde (CID 123581811) is 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde.
What is the SMILES notation for 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde?
The canonical SMILES for 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde is CC(F)c1cc(Nc2ccc(C=O)cc2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde?
The InChIKey is QHBMFUIAROEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(17)14-8-13(6-7-15(14)16)18-12-4-2-11(9-19)3-5-12/h2-10,18H,1H3.
What are the key properties of 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde?
4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde has a molecular weight of 277.73 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(1-fluoroethyl)anilino]benzaldehyde is sourced from PubChem (CID 123581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).