(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]

C19H20FNO — CID 91095889

IUPAC(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1cccc2c1C1(CCNCC1)O[C@@H]2Cc1ccccc1
InChIInChI=1S/C19H20FNO/c20-16-8-4-7-15-17(13-14-5-2-1-3-6-14)22-19(18(15)16)9-11-21-12-10-19/h1-8,17,21H,9-13H2/t17-/m1/s1
InChIKeyLJOLKDHAFFQVMY-QGZVFWFLSA-N
MW297.37 g/mol
LogP3.72
Rot. Bonds2

About (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]

(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 91095889) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID91095889
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1cccc2c1C1(CCNCC1)O[C@@H]2Cc1ccccc1
InChIInChI=1S/C19H20FNO/c20-16-8-4-7-15-17(13-14-5-2-1-3-6-14)22-19(18(15)16)9-11-21-12-10-19/h1-8,17,21H,9-13H2/t17-/m1/s1
InChIKeyLJOLKDHAFFQVMY-QGZVFWFLSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
CID 83854136
3-benzyl-4,4-difluoropiperidine
CID 84678460
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90701563
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512170
(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080151
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
4-benzyl-1-(2,3-difluorophenyl)cyclohexane-1-carboxylic acid
CID 70133181
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
3-benzyl-2,2-diphenyloxirane
CID 134205006

Frequently Asked Questions

What is the IUPAC name of (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine] (CID 91095889) is (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine] is Fc1cccc2c1C1(CCNCC1)O[C@@H]2Cc1ccccc1.
What is the InChIKey of (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is LJOLKDHAFFQVMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FNO/c20-16-8-4-7-15-17(13-14-5-2-1-3-6-14)22-19(18(15)16)9-11-21-12-10-19/h1-8,17,21H,9-13H2/t17-/m1/s1.
What are the key properties of (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]?
(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 297.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 91095889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).