6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

C14H14FNO — CID 163371035

IUPAC6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESO=C1NCC2(CC2)c2cc(C3(F)CC3)ccc21
InChIInChI=1S/C14H14FNO/c15-14(5-6-14)9-1-2-10-11(7-9)13(3-4-13)8-16-12(10)17/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyMURRZEKTDLLILL-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.42
Rot. Bonds1

About 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 163371035) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
PubChem CID163371035
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESO=C1NCC2(CC2)c2cc(C3(F)CC3)ccc21
InChIInChI=1S/C14H14FNO/c15-14(5-6-14)9-1-2-10-11(7-9)13(3-4-13)8-16-12(10)17/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyMURRZEKTDLLILL-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (CID 163371035) is 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is O=C1NCC2(CC2)c2cc(C3(F)CC3)ccc21.
What is the InChIKey of 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is MURRZEKTDLLILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-14(5-6-14)9-1-2-10-11(7-9)13(3-4-13)8-16-12(10)17/h1-2,7H,3-6,8H2,(H,16,17).
What are the key properties of 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 231.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluorocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 163371035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).