6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline

C15H13ClFN — CID 21276847

IUPAC6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(N2CCc3cc(Cl)ccc3C2)cc1
InChIInChI=1S/C15H13ClFN/c16-13-2-1-12-10-18(8-7-11(12)9-13)15-5-3-14(17)4-6-15/h1-6,9H,7-8,10H2
InChIKeyRJWWOJCCLHJKDW-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.04
Rot. Bonds1

About 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline

6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 21276847) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID21276847
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(N2CCc3cc(Cl)ccc3C2)cc1
InChIInChI=1S/C15H13ClFN/c16-13-2-1-12-10-18(8-7-11(12)9-13)15-5-3-14(17)4-6-15/h1-6,9H,7-8,10H2
InChIKeyRJWWOJCCLHJKDW-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline (CID 21276847) is 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline is Fc1ccc(N2CCc3cc(Cl)ccc3C2)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is RJWWOJCCLHJKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN/c16-13-2-1-12-10-18(8-7-11(12)9-13)15-5-3-14(17)4-6-15/h1-6,9H,7-8,10H2.
What are the key properties of 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 261.73 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21276847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).