1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline

C15H14FN — CID 174258768

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline
SMILESFC1(C2=c3ccccc3=CCN2)C=CC=CC1
InChIInChI=1S/C15H14FN/c16-15(9-4-1-5-10-15)14-13-7-3-2-6-12(13)8-11-17-14/h1-9,17H,10-11H2
InChIKeySKYZZUDFHOTEJR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.40
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline

1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline (PubChem CID 174258768) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline
PubChem CID174258768
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline
SMILESFC1(C2=c3ccccc3=CCN2)C=CC=CC1
InChIInChI=1S/C15H14FN/c16-15(9-4-1-5-10-15)14-13-7-3-2-6-12(13)8-11-17-14/h1-9,17H,10-11H2
InChIKeySKYZZUDFHOTEJR-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline (CID 174258768) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline is FC1(C2=c3ccccc3=CCN2)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline?
The InChIKey is SKYZZUDFHOTEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-15(9-4-1-5-10-15)14-13-7-3-2-6-12(13)8-11-17-14/h1-9,17H,10-11H2.
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline?
1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline has a molecular weight of 227.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinoline is sourced from PubChem (CID 174258768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).