4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

C15H22FNO — CID 70810475

IUPAC4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCC1C=CC=C(F)C12
InChIInChI=1S/C15H22FNO/c1-11(2)17-8-6-15(7-9-17)14-12(10-18-15)4-3-5-13(14)16/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeySRXVQZMVTQQDCU-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.92
Rot. Bonds1

About 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]

4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (PubChem CID 70810475) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
PubChem CID70810475
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCC1C=CC=C(F)C12
InChIInChI=1S/C15H22FNO/c1-11(2)17-8-6-15(7-9-17)14-12(10-18-15)4-3-5-13(14)16/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeySRXVQZMVTQQDCU-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (CID 70810475) is 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is CC(C)N1CCC2(CC1)OCC1C=CC=C(F)C12.
What is the InChIKey of 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is SRXVQZMVTQQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)17-8-6-15(7-9-17)14-12(10-18-15)4-3-5-13(14)16/h3-5,11-12,14H,6-10H2,1-2H3.
What are the key properties of 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 251.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 70810475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).