2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde

C12H13FO — CID 112546957

IUPAC2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
SMILESO=CCC1CCCc2c(F)cccc21
InChIInChI=1S/C12H13FO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2,4,6,8-9H,1,3,5,7H2
InChIKeyBTPQTTAWQHXUBL-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.83
Rot. Bonds2

About 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde

2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde (PubChem CID 112546957) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
PubChem CID112546957
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
SMILESO=CCC1CCCc2c(F)cccc21
InChIInChI=1S/C12H13FO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2,4,6,8-9H,1,3,5,7H2
InChIKeyBTPQTTAWQHXUBL-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The IUPAC name of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde (CID 112546957) is 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde is O=CCC1CCCc2c(F)cccc21.
What is the InChIKey of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
The InChIKey is BTPQTTAWQHXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-12-6-2-4-10-9(7-8-14)3-1-5-11(10)12/h2,4,6,8-9H,1,3,5,7H2.
What are the key properties of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde?
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde has a molecular weight of 192.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde is sourced from PubChem (CID 112546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).