8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde

C10H9ClFNO — CID 175277699

IUPAC8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde
SMILESO=CC1NCCc2ccc(F)c(Cl)c21
InChIInChI=1S/C10H9ClFNO/c11-10-7(12)2-1-6-3-4-13-8(5-14)9(6)10/h1-2,5,8,13H,3-4H2
InChIKeyORQOPCQZQLTRJQ-UHFFFAOYSA-N
MW213.64 g/mol
LogP1.86
Rot. Bonds1

About 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde

8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde (PubChem CID 175277699) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde
PubChem CID175277699
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde
SMILESO=CC1NCCc2ccc(F)c(Cl)c21
InChIInChI=1S/C10H9ClFNO/c11-10-7(12)2-1-6-3-4-13-8(5-14)9(6)10/h1-2,5,8,13H,3-4H2
InChIKeyORQOPCQZQLTRJQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde?
The IUPAC name of 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde (CID 175277699) is 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde is O=CC1NCCc2ccc(F)c(Cl)c21.
What is the InChIKey of 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde?
The InChIKey is ORQOPCQZQLTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-10-7(12)2-1-6-3-4-13-8(5-14)9(6)10/h1-2,5,8,13H,3-4H2.
What are the key properties of 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde?
8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde has a molecular weight of 213.64 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 175277699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).