3-fluoro-5-phenylbenzaldehyde

C13H9FO — CID 122475031

IUPAC3-fluoro-5-phenylbenzaldehyde
SMILESO=Cc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C13H9FO/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-9H
InChIKeyNCNRXKNIBDXCRN-UHFFFAOYSA-N
MW200.21 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-5-phenylbenzaldehyde

3-fluoro-5-phenylbenzaldehyde (PubChem CID 122475031) has the molecular formula C13H9FO and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-fluoro-5-phenylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-phenylbenzaldehyde
PubChem CID122475031
Molecular FormulaC13H9FO
Molecular Weight200.21 g/mol
Exact Mass200.06
IUPAC Name3-fluoro-5-phenylbenzaldehyde
SMILESO=Cc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C13H9FO/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-9H
InChIKeyNCNRXKNIBDXCRN-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
3-(2-chlorophenyl)-5-fluorobenzaldehyde
CID 166643026
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
CID 119005292
3-phenyl-5-(trifluoromethoxy)benzaldehyde
CID 122475037
3-fluoro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzaldehyde
CID 122475753
3-(4-fluorophenyl)-5-hydroxybenzaldehyde
CID 165437487
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
3-fluoro-5-(4-phenylpiperazin-1-yl)benzaldehyde
CID 106529031
5-(2-fluorophenyl)benzene-1,3-dicarbaldehyde
CID 167311950
methyl 3-formyl-5-phenylbenzoate
CID 88561174

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-phenylbenzaldehyde?
The IUPAC name of 3-fluoro-5-phenylbenzaldehyde (CID 122475031) is 3-fluoro-5-phenylbenzaldehyde.
What is the SMILES notation for 3-fluoro-5-phenylbenzaldehyde?
The canonical SMILES for 3-fluoro-5-phenylbenzaldehyde is O=Cc1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of 3-fluoro-5-phenylbenzaldehyde?
The InChIKey is NCNRXKNIBDXCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-fluoro-5-phenylbenzaldehyde?
3-fluoro-5-phenylbenzaldehyde has a molecular weight of 200.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-phenylbenzaldehyde is sourced from PubChem (CID 122475031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).