6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]

C26H30F2N2O2 — CID 162112541

IUPAC6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc2c(c1)C=CC1(CCNCC1)O2.Fc1ccc2c(c1)CCC1(CCNCC1)O2
InChIInChI=1S/C13H16FNO.C13H14FNO/c2*14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13/h1-2,9,15H,3-8H2;1-4,9,15H,5-8H2
InChIKeyZGILMXVFLZFEJR-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.63
Rot. Bonds

About 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]

6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 162112541) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID162112541
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC Name6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc2c(c1)C=CC1(CCNCC1)O2.Fc1ccc2c(c1)CCC1(CCNCC1)O2
InChIInChI=1S/C13H16FNO.C13H14FNO/c2*14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13/h1-2,9,15H,3-8H2;1-4,9,15H,5-8H2
InChIKeyZGILMXVFLZFEJR-UHFFFAOYSA-N
XLogP4.63
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

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Related Compounds

5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
6-tert-butylspiro[chromene-2,4'-piperidine]
CID 150143821
6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318076

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] (CID 162112541) is 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] is Fc1ccc2c(c1)C=CC1(CCNCC1)O2.Fc1ccc2c(c1)CCC1(CCNCC1)O2.
What is the InChIKey of 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is ZGILMXVFLZFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO.C13H14FNO/c2*14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13/h1-2,9,15H,3-8H2;1-4,9,15H,5-8H2.
What are the key properties of 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 440.53 g/mol, XLogP of 4.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 162112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).