6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]

C11H9FN2O — CID 21162154

IUPAC6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]
SMILESFc1ccc2c(c1)C1(C=NC=N1)CCO2
InChIInChI=1S/C11H9FN2O/c12-8-1-2-10-9(5-8)11(3-4-15-10)6-13-7-14-11/h1-2,5-7H,3-4H2
InChIKeyVUIFLEQKJUBGTJ-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.92
Rot. Bonds

About 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]

6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole] (PubChem CID 21162154) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole].

Molecular Properties

Compound Name6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]
PubChem CID21162154
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]
SMILESFc1ccc2c(c1)C1(C=NC=N1)CCO2
InChIInChI=1S/C11H9FN2O/c12-8-1-2-10-9(5-8)11(3-4-15-10)6-13-7-14-11/h1-2,5-7H,3-4H2
InChIKeyVUIFLEQKJUBGTJ-UHFFFAOYSA-N
XLogP1.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]?
The IUPAC name of 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole] (CID 21162154) is 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole].
What is the SMILES notation for 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]?
The canonical SMILES for 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole] is Fc1ccc2c(c1)C1(C=NC=N1)CCO2.
What is the InChIKey of 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]?
The InChIKey is VUIFLEQKJUBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-8-1-2-10-9(5-8)11(3-4-15-10)6-13-7-14-11/h1-2,5-7H,3-4H2.
What are the key properties of 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole]?
6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole] has a molecular weight of 204.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazole] is sourced from PubChem (CID 21162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).