fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

C14H16FNO — CID 166106506

IUPACfluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESFC1CC1.O=C1NCC2(CC2)c2ccccc21
InChIInChI=1S/C11H11NO.C3H5F/c13-10-8-3-1-2-4-9(8)11(5-6-11)7-12-10;4-3-1-2-3/h1-4H,5-7H2,(H,12,13);3H,1-2H2
InChIKeyFVDCIGPMZCHNMW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.58
Rot. Bonds

About fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 166106506) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Namefluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
PubChem CID166106506
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Namefluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESFC1CC1.O=C1NCC2(CC2)c2ccccc21
InChIInChI=1S/C11H11NO.C3H5F/c13-10-8-3-1-2-4-9(8)11(5-6-11)7-12-10;4-3-1-2-3/h1-4H,5-7H2,(H,12,13);3H,1-2H2
InChIKeyFVDCIGPMZCHNMW-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (CID 166106506) is fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is FC1CC1.O=C1NCC2(CC2)c2ccccc21.
What is the InChIKey of fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is FVDCIGPMZCHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C3H5F/c13-10-8-3-1-2-4-9(8)11(5-6-11)7-12-10;4-3-1-2-3/h1-4H,5-7H2,(H,12,13);3H,1-2H2.
What are the key properties of fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 233.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 166106506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).