4-(2,5-difluorophenyl)-3-methylbenzaldehyde

C14H10F2O — CID 81446927

IUPAC4-(2,5-difluorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O/c1-9-6-10(8-17)2-4-12(9)13-7-11(15)3-5-14(13)16/h2-8H,1H3
InChIKeyRCFPAGMPFAFSOB-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.75
Rot. Bonds2

About 4-(2,5-difluorophenyl)-3-methylbenzaldehyde

4-(2,5-difluorophenyl)-3-methylbenzaldehyde (PubChem CID 81446927) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-methylbenzaldehyde
PubChem CID81446927
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name4-(2,5-difluorophenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cc(F)ccc1F
InChIInChI=1S/C14H10F2O/c1-9-6-10(8-17)2-4-12(9)13-7-11(15)3-5-14(13)16/h2-8H,1H3
InChIKeyRCFPAGMPFAFSOB-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-(2,5-difluorophenyl)-3-methylbenzaldehyde (CID 81446927) is 4-(2,5-difluorophenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1-c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-methylbenzaldehyde?
The InChIKey is RCFPAGMPFAFSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-9-6-10(8-17)2-4-12(9)13-7-11(15)3-5-14(13)16/h2-8H,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-3-methylbenzaldehyde?
4-(2,5-difluorophenyl)-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 4-(2,5-difluorophenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 81446927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).