2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde

C12H13FO — CID 112546958

IUPAC2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
SMILESO=CCC1CCc2cc(F)ccc2C1
InChIInChI=1S/C12H13FO/c13-12-4-3-10-7-9(5-6-14)1-2-11(10)8-12/h3-4,6,8-9H,1-2,5,7H2
InChIKeySHWNTIXCXJXBMN-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.52
Rot. Bonds2

About 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde

2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde (PubChem CID 112546958) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
PubChem CID112546958
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde
SMILESO=CCC1CCc2cc(F)ccc2C1
InChIInChI=1S/C12H13FO/c13-12-4-3-10-7-9(5-6-14)1-2-11(10)8-12/h3-4,6,8-9H,1-2,5,7H2
InChIKeySHWNTIXCXJXBMN-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde (CID 112546958) is 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde is O=CCC1CCc2cc(F)ccc2C1.
What is the InChIKey of 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde?
The InChIKey is SHWNTIXCXJXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-12-4-3-10-7-9(5-6-14)1-2-11(10)8-12/h3-4,6,8-9H,1-2,5,7H2.
What are the key properties of 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde?
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde has a molecular weight of 192.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 112546958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).