2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde

C14H10F2O — CID 142366319

IUPAC2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(-c2cccc(F)c2)cc(C=O)c1F
InChIInChI=1S/C14H10F2O/c1-9-5-11(6-12(8-17)14(9)16)10-3-2-4-13(15)7-10/h2-8H,1H3
InChIKeyXLUVYGHXDOFTCR-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.75
Rot. Bonds2

About 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde

2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde (PubChem CID 142366319) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
PubChem CID142366319
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(-c2cccc(F)c2)cc(C=O)c1F
InChIInChI=1S/C14H10F2O/c1-9-5-11(6-12(8-17)14(9)16)10-3-2-4-13(15)7-10/h2-8H,1H3
InChIKeyXLUVYGHXDOFTCR-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.75
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

2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
2-methyl-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650737
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 83966105
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
CID 22566637
4-fluoro-2-methylbenzaldehyde
CID 2783217
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid
CID 143634129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde?
The IUPAC name of 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde (CID 142366319) is 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde?
The canonical SMILES for 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde is Cc1cc(-c2cccc(F)c2)cc(C=O)c1F.
What is the InChIKey of 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde?
The InChIKey is XLUVYGHXDOFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9-5-11(6-12(8-17)14(9)16)10-3-2-4-13(15)7-10/h2-8H,1H3.
What are the key properties of 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde?
2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde has a molecular weight of 232.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 142366319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).