4-Fluorobenzaldehyde

C7H5FO — CID 68023

IUPAC4-fluorobenzaldehyde
SMILESC1=CC(=CC=C1C=O)F
InChIInChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyUOQXIWFBQSVDPP-UHFFFAOYSA-N
MW124.11 g/mol
LogP1.60
Rot. Bonds1

About 4-Fluorobenzaldehyde

4-Fluorobenzaldehyde (PubChem CID 68023) has the molecular formula C7H5FO and a molecular weight of 124.11 g/mol. Its IUPAC name is 4-fluorobenzaldehyde.

Molecular Properties

Compound Name4-Fluorobenzaldehyde
PubChem CID68023
Molecular FormulaC7H5FO
Molecular Weight124.11 g/mol
Exact Mass124.03
IUPAC Name4-fluorobenzaldehyde
SMILESC1=CC(=CC=C1C=O)F
InChIInChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyUOQXIWFBQSVDPP-UHFFFAOYSA-N
XLogP1.60
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity95

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde
CID 240
Phthalaldehyde
CID 4807
Phenylacetaldehyde
CID 998
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
2-Benzylideneheptanal
CID 1712058
2-Methylbenzaldehyde
CID 10722
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
3-Methylbenzaldehyde
CID 12105
Thiobenzoic Acid
CID 7414
alpha-Amylcinnamaldehyde, (E)-
CID 1623625

Frequently Asked Questions

What is the IUPAC name of 4-Fluorobenzaldehyde?
The IUPAC name of 4-Fluorobenzaldehyde (CID 68023) is 4-fluorobenzaldehyde.
What is the SMILES notation for 4-Fluorobenzaldehyde?
The canonical SMILES for 4-Fluorobenzaldehyde is C1=CC(=CC=C1C=O)F.
What is the InChIKey of 4-Fluorobenzaldehyde?
The InChIKey is UOQXIWFBQSVDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H.
What are the key properties of 4-Fluorobenzaldehyde?
4-Fluorobenzaldehyde has a molecular weight of 124.11 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Fluorobenzaldehyde is sourced from PubChem (CID 68023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).