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

C12H12BrFO2 — CID 155103668

IUPAC7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cc(Br)cc2c1CC1(CC2)OCCO1
InChIInChI=1S/C12H12BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h5-6H,1-4,7H2
InChIKeyCPCYOLXHDUCZIT-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.82
Rot. Bonds

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

7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 155103668) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID155103668
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESFc1cc(Br)cc2c1CC1(CC2)OCCO1
InChIInChI=1S/C12H12BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h5-6H,1-4,7H2
InChIKeyCPCYOLXHDUCZIT-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] with MolForge

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Related Compounds

8-(4-Bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 132051876
5'-Bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]
CID 169122691
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 175691601
4-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 176214193
7-bromo-3,3-dimethoxy-2,4-dihydro-1H-naphthalene
CID 9795445
8'-Bromo-3',4'-dihydrospiro-[1,3-dioxolane-2,2'(1h)-naphthalene]
CID 10468278
7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
CID 11781026
(4'aS,8'aS)-7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 20807912
7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 22384007
6-Bromo-2-tetralone ethylene ketal
CID 23377894
7-Bromo-3,4-dihydro-1H-naphthalen-2-one 1,2-ethanediol ketal
CID 23507886

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 155103668) is 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is Fc1cc(Br)cc2c1CC1(CC2)OCCO1.
What is the InChIKey of 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is CPCYOLXHDUCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-9-5-8-1-2-12(15-3-4-16-12)7-10(8)11(14)6-9/h5-6H,1-4,7H2.
What are the key properties of 7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
7'-bromo-5'-fluorospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 287.13 g/mol, XLogP of 2.82, 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-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 155103668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).