(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine

C13H22FNO — CID 176569228

IUPAC(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine
SMILESFC1CCC2C(C1)OC[C@@H]2[C@H]1CCCNC1
InChIInChI=1S/C13H22FNO/c14-10-3-4-11-12(8-16-13(11)6-10)9-2-1-5-15-7-9/h9-13,15H,1-8H2/t9-,10?,11?,12+,13?/m0/s1
InChIKeyCZPABVVFWVIRIG-ZBHCNIRXSA-N
MW227.32 g/mol
LogP2.14
Rot. Bonds1

About (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine

(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine (PubChem CID 176569228) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine
PubChem CID176569228
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine
SMILESFC1CCC2C(C1)OC[C@@H]2[C@H]1CCCNC1
InChIInChI=1S/C13H22FNO/c14-10-3-4-11-12(8-16-13(11)6-10)9-2-1-5-15-7-9/h9-13,15H,1-8H2/t9-,10?,11?,12+,13?/m0/s1
InChIKeyCZPABVVFWVIRIG-ZBHCNIRXSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine?
The IUPAC name of (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine (CID 176569228) is (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine.
What is the SMILES notation for (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine?
The canonical SMILES for (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine is FC1CCC2C(C1)OC[C@@H]2[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine?
The InChIKey is CZPABVVFWVIRIG-ZBHCNIRXSA-N. The full InChI is InChI=1S/C13H22FNO/c14-10-3-4-11-12(8-16-13(11)6-10)9-2-1-5-15-7-9/h9-13,15H,1-8H2/t9-,10?,11?,12+,13?/m0/s1.
What are the key properties of (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine?
(3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine has a molecular weight of 227.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]piperidine is sourced from PubChem (CID 176569228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).