1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]

C15H15FO2 — CID 168870614

IUPAC1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
SMILESFc1cccc(C23CCC4(CC2C3)OC=CO4)c1
InChIInChI=1S/C15H15FO2/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,6-8,12H,4-5,9-10H2
InChIKeyOHJBRIFMQWYLTA-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.48
Rot. Bonds1

About 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]

1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] (PubChem CID 168870614) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
PubChem CID168870614
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
SMILESFc1cccc(C23CCC4(CC2C3)OC=CO4)c1
InChIInChI=1S/C15H15FO2/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,6-8,12H,4-5,9-10H2
InChIKeyOHJBRIFMQWYLTA-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-phenylspiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]
CID 168870604
1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]
CID 162735102
2-(3-spiro[1,3-dioxolane-2,4'-bicyclo[4.1.0]heptane]-1'-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 141072002
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
CID 64516449
2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878

Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The IUPAC name of 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] (CID 168870614) is 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane].
What is the SMILES notation for 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The canonical SMILES for 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] is Fc1cccc(C23CCC4(CC2C3)OC=CO4)c1.
What is the InChIKey of 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
The InChIKey is OHJBRIFMQWYLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,6-8,12H,4-5,9-10H2.
What are the key properties of 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane]?
1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] has a molecular weight of 246.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)spiro[1,3-dioxole-2,4'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 168870614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).