3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline

C10H10F2IN — CID 11522432

IUPAC3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1Cc2ccc(I)cc2CN1
InChIInChI=1S/C10H10F2IN/c11-10(12)9-4-6-1-2-8(13)3-7(6)5-14-9/h1-3,9-10,14H,4-5H2
InChIKeyJYYZMJMUWPQGBO-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.57
Rot. Bonds1

About 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline

3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline (PubChem CID 11522432) has the molecular formula C10H10F2IN and a molecular weight of 309.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline
PubChem CID11522432
Molecular FormulaC10H10F2IN
Molecular Weight309.10 g/mol
Exact Mass308.98
IUPAC Name3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1Cc2ccc(I)cc2CN1
InChIInChI=1S/C10H10F2IN/c11-10(12)9-4-6-1-2-8(13)3-7(6)5-14-9/h1-3,9-10,14H,4-5H2
InChIKeyJYYZMJMUWPQGBO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline (CID 11522432) is 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline is FC(F)C1Cc2ccc(I)cc2CN1.
What is the InChIKey of 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JYYZMJMUWPQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2IN/c11-10(12)9-4-6-1-2-8(13)3-7(6)5-14-9/h1-3,9-10,14H,4-5H2.
What are the key properties of 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline?
3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 309.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-iodo-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 11522432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).