5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H10ClF2N — CID 84724216

IUPAC5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1NCCc2c(Cl)cccc21
InChIInChI=1S/C10H10ClF2N/c11-8-3-1-2-7-6(8)4-5-14-9(7)10(12)13/h1-3,9-10,14H,4-5H2
InChIKeyWPSGDJMWVPORRU-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.79
Rot. Bonds1

About 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline

5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84724216) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID84724216
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1NCCc2c(Cl)cccc21
InChIInChI=1S/C10H10ClF2N/c11-8-3-1-2-7-6(8)4-5-14-9(7)10(12)13/h1-3,9-10,14H,4-5H2
InChIKeyWPSGDJMWVPORRU-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 84724216) is 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)C1NCCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WPSGDJMWVPORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-8-3-1-2-7-6(8)4-5-14-9(7)10(12)13/h1-3,9-10,14H,4-5H2.
What are the key properties of 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.65 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84724216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).