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

C12H12BrFO2 — CID 175691601

IUPAC4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cccc2c1C(Br)C1(CC2)OCCO1
InChIInChI=1S/C12H12BrFO2/c13-11-10-8(2-1-3-9(10)14)4-5-12(11)15-6-7-16-12/h1-3,11H,4-7H2
InChIKeyCDMSSNNUSMZCGV-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.95
Rot. Bonds

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

4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 175691601) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID175691601
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cccc2c1C(Br)C1(CC2)OCCO1
InChIInChI=1S/C12H12BrFO2/c13-11-10-8(2-1-3-9(10)14)4-5-12(11)15-6-7-16-12/h1-3,11H,4-7H2
InChIKeyCDMSSNNUSMZCGV-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] with MolForge

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Related Compounds

7-Bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 91265049
6'-Bromo-8'-fluoro-spiro[1,3-dioxolane-2,2'-tetralin]
CID 155103668
7'-bromo-5'-fluorospiro[1,3-dioxole-2,3'-2,4-dihydro-1H-naphthalene]
CID 169225250
4-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 176214193
Spiro[1,3-dioxolane-2,2'(1'H)-naphthalene], 3',4'-dihydro-
CID 605322
2-Bromo-3,4-dihydro-2h-spiro[naphthalene-1,2'-[1,3]dioxolane]
CID 12246312
8'-Bromo-3',4'-dihydrospiro-[1,3-dioxolane-2,2'(1h)-naphthalene]
CID 10468278
6-Bromo-2-tetralone ethylene ketal
CID 23377894
7-Bromo-3,4-dihydro-1H-naphthalen-2-one 1,2-ethanediol ketal
CID 23507886
6-Bromo-2-tetralone propylene ketal
CID 57276089
5'-bromo-3',4'-dihydro-1'H-spiro[[1,3]-dioxolane-2,2'-naphthalene]
CID 86688723
5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 137382331

Frequently Asked Questions

What is the IUPAC name of 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 175691601) is 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is Fc1cccc2c1C(Br)C1(CC2)OCCO1.
What is the InChIKey of 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is CDMSSNNUSMZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-11-10-8(2-1-3-9(10)14)4-5-12(11)15-6-7-16-12/h1-3,11H,4-7H2.
What are the key properties of 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 287.13 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 175691601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).