2-(3-fluorobenzoyl)benzaldehyde

C14H9FO2 — CID 175472655

IUPAC2-(3-fluorobenzoyl)benzaldehyde
SMILESO=Cc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H9FO2/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-9H
InChIKeyODRSBDTUXMJXAO-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-fluorobenzoyl)benzaldehyde

2-(3-fluorobenzoyl)benzaldehyde (PubChem CID 175472655) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(3-fluorobenzoyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-fluorobenzoyl)benzaldehyde
PubChem CID175472655
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name2-(3-fluorobenzoyl)benzaldehyde
SMILESO=Cc1ccccc1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H9FO2/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-9H
InChIKeyODRSBDTUXMJXAO-UHFFFAOYSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.87
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

(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
2,3-dibenzoylbenzaldehyde
CID 54496315
2-fluoro-3-(3-fluorobenzoyl)benzonitrile
CID 174421745
[2-[2-(3-fluorobenzoyl)phenoxy]phenyl]-(3-hydroxyphenyl)methanone
CID 139890668
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde
CID 90872795
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobenzoyl)benzaldehyde?
The IUPAC name of 2-(3-fluorobenzoyl)benzaldehyde (CID 175472655) is 2-(3-fluorobenzoyl)benzaldehyde.
What is the SMILES notation for 2-(3-fluorobenzoyl)benzaldehyde?
The canonical SMILES for 2-(3-fluorobenzoyl)benzaldehyde is O=Cc1ccccc1C(=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorobenzoyl)benzaldehyde?
The InChIKey is ODRSBDTUXMJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-9H.
What are the key properties of 2-(3-fluorobenzoyl)benzaldehyde?
2-(3-fluorobenzoyl)benzaldehyde has a molecular weight of 228.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobenzoyl)benzaldehyde is sourced from PubChem (CID 175472655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).