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

C13H16FNO — CID 86277107

IUPAC6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
SMILESFc1ccc2c(c1)CC1(CCOCC1)CN2
InChIInChI=1S/C13H16FNO/c14-11-1-2-12-10(7-11)8-13(9-15-12)3-5-16-6-4-13/h1-2,7,15H,3-6,8-9H2
InChIKeyIBTUGWLNMISBLR-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.59
Rot. Bonds

About 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]

6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] (PubChem CID 86277107) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane].

Molecular Properties

Compound Name6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
PubChem CID86277107
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
SMILESFc1ccc2c(c1)CC1(CCOCC1)CN2
InChIInChI=1S/C13H16FNO/c14-11-1-2-12-10(7-11)8-13(9-15-12)3-5-16-6-4-13/h1-2,7,15H,3-6,8-9H2
InChIKeyIBTUGWLNMISBLR-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 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The IUPAC name of 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] (CID 86277107) is 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane].
What is the SMILES notation for 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The canonical SMILES for 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] is Fc1ccc2c(c1)CC1(CCOCC1)CN2.
What is the InChIKey of 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
The InChIKey is IBTUGWLNMISBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-1-2-12-10(7-11)8-13(9-15-12)3-5-16-6-4-13/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]?
6-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 6-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane] is sourced from PubChem (CID 86277107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).