ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

C14H18FNO — CID 171659982

IUPACethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESCC.Cc1cc(F)c2c(c1)C1(CC1)CNC2=O
InChIInChI=1S/C12H12FNO.C2H6/c1-7-4-8-10(9(13)5-7)11(15)14-6-12(8)2-3-12;1-2/h4-5H,2-3,6H2,1H3,(H,14,15);1-2H3
InChIKeySRJPPYAZCKMBIM-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.94
Rot. Bonds

About ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 171659982) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Nameethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
PubChem CID171659982
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Nameethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESCC.Cc1cc(F)c2c(c1)C1(CC1)CNC2=O
InChIInChI=1S/C12H12FNO.C2H6/c1-7-4-8-10(9(13)5-7)11(15)14-6-12(8)2-3-12;1-2/h4-5H,2-3,6H2,1H3,(H,14,15);1-2H3
InChIKeySRJPPYAZCKMBIM-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-5-methyl-2,3-dihydroisoindol-1-one
CID 89086082
8-fluoro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
CID 171660351
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166106506
5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 176630766
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
7-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452146
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
3,3,8-trifluoro-2,6-dimethyl-2,4-dihydrochromene
CID 58660511
3-fluoro-4-(4-methylphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 166461690
6-(1-isocyanocyclopropyl)spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 170542165
CID 163589108
CID 163589108
5-(2,6-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 170345682

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (CID 171659982) is ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is CC.Cc1cc(F)c2c(c1)C1(CC1)CNC2=O.
What is the InChIKey of ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is SRJPPYAZCKMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO.C2H6/c1-7-4-8-10(9(13)5-7)11(15)14-6-12(8)2-3-12;1-2/h4-5H,2-3,6H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-6-methylspiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 171659982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).