1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]

C19H24FNO — CID 59433857

IUPAC1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC1)CO2
InChIInChI=1S/C19H24FNO/c20-15-3-4-18-16(11-15)19(12-22-18)5-7-21(8-6-19)17-10-13-1-2-14(17)9-13/h3-4,11,13-14,17H,1-2,5-10,12H2/t13-,14-,17+/m1/s1
InChIKeyZKKSYGOLMSMJCA-CPUCHLNUSA-N
MW301.40 g/mol
LogP3.74
Rot. Bonds1

About 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]

1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 59433857) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID59433857
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC Name1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC1)CO2
InChIInChI=1S/C19H24FNO/c20-15-3-4-18-16(11-15)19(12-22-18)5-7-21(8-6-19)17-10-13-1-2-14(17)9-13/h3-4,11,13-14,17H,1-2,5-10,12H2/t13-,14-,17+/m1/s1
InChIKeyZKKSYGOLMSMJCA-CPUCHLNUSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine] (CID 59433857) is 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC1)CO2.
What is the InChIKey of 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is ZKKSYGOLMSMJCA-CPUCHLNUSA-N. The full InChI is InChI=1S/C19H24FNO/c20-15-3-4-18-16(11-15)19(12-22-18)5-7-21(8-6-19)17-10-13-1-2-14(17)9-13/h3-4,11,13-14,17H,1-2,5-10,12H2/t13-,14-,17+/m1/s1.
What are the key properties of 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]?
1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 301.40 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 59433857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).