5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]

C14H18FNO — CID 57459631

IUPAC5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
SMILESCC1(C)OC2(CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C14H18FNO/c1-13(2)12-9-10(15)3-4-11(12)14(17-13)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyKOAJZWITRVNZMC-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.67
Rot. Bonds

About 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]

5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine] (PubChem CID 57459631) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
PubChem CID57459631
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
SMILESCC1(C)OC2(CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C14H18FNO/c1-13(2)12-9-10(15)3-4-11(12)14(17-13)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyKOAJZWITRVNZMC-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]?
The IUPAC name of 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine] (CID 57459631) is 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine].
What is the SMILES notation for 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]?
The canonical SMILES for 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine] is CC1(C)OC2(CCNCC2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]?
The InChIKey is KOAJZWITRVNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-13(2)12-9-10(15)3-4-11(12)14(17-13)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]?
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine] has a molecular weight of 235.30 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine] is sourced from PubChem (CID 57459631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).