2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]

C18H18FNO — CID 12733502

IUPAC2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc(C2Oc3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2
InChIKeyRANLETREFFXNGA-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.58
Rot. Bonds1

About 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]

2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 12733502) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID12733502
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]
SMILESFc1ccc(C2Oc3ccccc3C23CCNCC3)cc1
InChIInChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2
InChIKeyRANLETREFFXNGA-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
CID 12733490
2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
CID 12733487
ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate
CID 71193421
ethyl 3-cyclopropyl-2-(4-fluorophenyl)-2H-1-benzofuran-3-carboxylate
CID 172816125
(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]
CID 122361270
(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133112951
benzene;fluorobenzene;piperazine
CID 161000985
fluorobenzene;piperazine
CID 145014946
(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554165
3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3856663
1-(4-fluorophenyl)-2,9-dioxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaene
CID 627620
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] (CID 12733502) is 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] is Fc1ccc(C2Oc3ccccc3C23CCNCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is RANLETREFFXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-14-7-5-13(6-8-14)17-18(9-11-20-12-10-18)15-3-1-2-4-16(15)21-17/h1-8,17,20H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine]?
2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 283.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)spiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 12733502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).