5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C11H10ClFO — CID 164523445

IUPAC5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2c1ccc(F)c2Cl
InChIInChI=1S/C11H10ClFO/c12-11-9-3-1-2-7(6-14)8(9)4-5-10(11)13/h4-7H,1-3H2
InChIKeyHHKIFKJZZSPCBO-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.10
Rot. Bonds1

About 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 164523445) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID164523445
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2c1ccc(F)c2Cl
InChIInChI=1S/C11H10ClFO/c12-11-9-3-1-2-7(6-14)8(9)4-5-10(11)13/h4-7H,1-3H2
InChIKeyHHKIFKJZZSPCBO-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.10
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 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 164523445) is 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is O=CC1CCCc2c1ccc(F)c2Cl.
What is the InChIKey of 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is HHKIFKJZZSPCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c12-11-9-3-1-2-7(6-14)8(9)4-5-10(11)13/h4-7H,1-3H2.
What are the key properties of 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 212.65 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 164523445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).