5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]

C13H16FNO — CID 86277174

IUPAC5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
SMILESFc1cccc2c1CC1(CCOCC1)CN2
InChIInChI=1S/C13H16FNO/c14-11-2-1-3-12-10(11)8-13(9-15-12)4-6-16-7-5-13/h1-3,15H,4-9H2
InChIKeyOVOBKUGOBJDCNU-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.59
Rot. Bonds

About 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]

5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] (PubChem CID 86277174) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane].

Molecular Properties

Compound Name5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
PubChem CID86277174
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
SMILESFc1cccc2c1CC1(CCOCC1)CN2
InChIInChI=1S/C13H16FNO/c14-11-2-1-3-12-10(11)8-13(9-15-12)4-6-16-7-5-13/h1-3,15H,4-9H2
InChIKeyOVOBKUGOBJDCNU-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The IUPAC name of 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] (CID 86277174) is 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane].
What is the SMILES notation for 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The canonical SMILES for 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] is Fc1cccc2c1CC1(CCOCC1)CN2.
What is the InChIKey of 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The InChIKey is OVOBKUGOBJDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-2-1-3-12-10(11)8-13(9-15-12)4-6-16-7-5-13/h1-3,15H,4-9H2.
What are the key properties of 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] has a molecular weight of 221.27 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] is sourced from PubChem (CID 86277174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).