2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde

C18H13FO — CID 81432511

IUPAC2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde
SMILESCc1ccc2ccccc2c1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C18H13FO/c1-12-6-7-13-4-2-3-5-16(13)18(12)14-8-9-17(19)15(10-14)11-20/h2-11H,1H3
InChIKeyPSZSYFMDCMWFFN-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.77
Rot. Bonds2

About 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde

2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde (PubChem CID 81432511) has the molecular formula C18H13FO and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde
PubChem CID81432511
Molecular FormulaC18H13FO
Molecular Weight264.30 g/mol
Exact Mass264.10
IUPAC Name2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde
SMILESCc1ccc2ccccc2c1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C18H13FO/c1-12-6-7-13-4-2-3-5-16(13)18(12)14-8-9-17(19)15(10-14)11-20/h2-11H,1H3
InChIKeyPSZSYFMDCMWFFN-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.77
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 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde (CID 81432511) is 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde is Cc1ccc2ccccc2c1-c1ccc(F)c(C=O)c1.
What is the InChIKey of 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde?
The InChIKey is PSZSYFMDCMWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO/c1-12-6-7-13-4-2-3-5-16(13)18(12)14-8-9-17(19)15(10-14)11-20/h2-11H,1H3.
What are the key properties of 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde?
2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde has a molecular weight of 264.30 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylnaphthalen-1-yl)benzaldehyde is sourced from PubChem (CID 81432511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).