5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

C10H11ClFN — CID 84669129

IUPAC5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2c(Cl)ccc(F)c2C1
InChIInChI=1S/C10H11ClFN/c1-13-5-4-7-8(6-13)10(12)3-2-9(7)11/h2-3H,4-6H2,1H3
InChIKeyPFURMMGLJFKTKQ-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.47
Rot. Bonds

About 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 84669129) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID84669129
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2c(Cl)ccc(F)c2C1
InChIInChI=1S/C10H11ClFN/c1-13-5-4-7-8(6-13)10(12)3-2-9(7)11/h2-3H,4-6H2,1H3
InChIKeyPFURMMGLJFKTKQ-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 84669129) is 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2c(Cl)ccc(F)c2C1.
What is the InChIKey of 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PFURMMGLJFKTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-13-5-4-7-8(6-13)10(12)3-2-9(7)11/h2-3H,4-6H2,1H3.
What are the key properties of 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 199.66 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 84669129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).