7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]

C12H10BrFO2 — CID 169225250

IUPAC7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cc(Br)cc2c1CC1(CC2)OC=CO1
InChIInChI=1S/C12H10BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h3-6H,1-2,7H2
InChIKeyPDOPVYZOCGJWRF-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.29
Rot. Bonds

About 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]

7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 169225250) has the molecular formula C12H10BrFO2 and a molecular weight of 285.11 g/mol. Its IUPAC name is 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID169225250
Molecular FormulaC12H10BrFO2
Molecular Weight285.11 g/mol
Exact Mass283.98
IUPAC Name7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cc(Br)cc2c1CC1(CC2)OC=CO1
InChIInChI=1S/C12H10BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h3-6H,1-2,7H2
InChIKeyPDOPVYZOCGJWRF-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene] (CID 169225250) is 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene] is Fc1cc(Br)cc2c1CC1(CC2)OC=CO1.
What is the InChIKey of 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is PDOPVYZOCGJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h3-6H,1-2,7H2.
What are the key properties of 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]?
7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 285.11 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 169225250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).