5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]

C12H13F2NO — CID 106701657

IUPAC5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
SMILESFc1cc(F)c2c(c1)C1(CCOCC1)CN2
InChIInChI=1S/C12H13F2NO/c13-8-5-9-11(10(14)6-8)15-7-12(9)1-3-16-4-2-12/h5-6,15H,1-4,7H2
InChIKeyWBXWGNQZFSNSAJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.44
Rot. Bonds

About 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]

5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane] (PubChem CID 106701657) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane].

Molecular Properties

Compound Name5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
PubChem CID106701657
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
SMILESFc1cc(F)c2c(c1)C1(CCOCC1)CN2
InChIInChI=1S/C12H13F2NO/c13-8-5-9-11(10(14)6-8)15-7-12(9)1-3-16-4-2-12/h5-6,15H,1-4,7H2
InChIKeyWBXWGNQZFSNSAJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]
CID 106701866
6-fluorospiro[1,2-dihydroindole-3,4'-oxane];hydrochloride
CID 131637863
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
6-bromo-4-fluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 156632845
spiro[5,6-dihydrothieno[2,3-b]pyrrole-4,4'-oxane]
CID 96622382
spiro[1,2-dihydroindole-3,4'-oxane]-6-carbonitrile
CID 67286131
7-methylspiro[1,2-dihydroindole-3,3'-oxolane]
CID 106701925
6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]
CID 169100791
6,8-difluoro-3,3,4-trimethyl-1,2-dihydroquinoxaline
CID 84621650
3,3-diethyl-6,8-difluoro-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115510199
5-fluorospiro[1,2-dihydroindole-3,2'-oxetane]
CID 171545165
7-fluorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,4'-oxane]
CID 115440802

Frequently Asked Questions

What is the IUPAC name of 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]?
The IUPAC name of 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane] (CID 106701657) is 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane].
What is the SMILES notation for 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]?
The canonical SMILES for 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane] is Fc1cc(F)c2c(c1)C1(CCOCC1)CN2.
What is the InChIKey of 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]?
The InChIKey is WBXWGNQZFSNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-8-5-9-11(10(14)6-8)15-7-12(9)1-3-16-4-2-12/h5-6,15H,1-4,7H2.
What are the key properties of 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]?
5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane] has a molecular weight of 225.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane] is sourced from PubChem (CID 106701657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).