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

C15H18FNO — CID 162735102

IUPAC1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]
SMILESFc1cccc(C23CCC4(CC2C3)NCCO4)c1
InChIInChI=1S/C15H18FNO/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,8,12,17H,4-7,9-10H2
InChIKeySTWJGABTPHDHIE-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.58
Rot. Bonds1

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

1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane] (PubChem CID 162735102) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane].

Molecular Properties

Compound Name1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]
PubChem CID162735102
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]
SMILESFc1cccc(C23CCC4(CC2C3)NCCO4)c1
InChIInChI=1S/C15H18FNO/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,8,12,17H,4-7,9-10H2
InChIKeySTWJGABTPHDHIE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]?
The IUPAC name of 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane] (CID 162735102) is 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane].
What is the SMILES notation for 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]?
The canonical SMILES for 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane] is Fc1cccc(C23CCC4(CC2C3)NCCO4)c1.
What is the InChIKey of 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]?
The InChIKey is STWJGABTPHDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-13-3-1-2-11(8-13)14-4-5-15(10-12(14)9-14)17-6-7-18-15/h1-3,8,12,17H,4-7,9-10H2.
What are the key properties of 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane]?
1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane] has a molecular weight of 247.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)spiro[1,3-oxazolidine-2,4'-bicyclo[4.1.0]heptane] is sourced from PubChem (CID 162735102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).