6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C13H17FN2O — CID 114708516

IUPAC6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c14-9-1-2-12-10(7-9)11(15)8-13(17-12)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyINIFEGWJEIKGMK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.73
Rot. Bonds

About 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 114708516) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID114708516
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c14-9-1-2-12-10(7-9)11(15)8-13(17-12)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyINIFEGWJEIKGMK-UHFFFAOYSA-N
XLogP1.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 114708516) is 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is NC1CC2(CCNCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is INIFEGWJEIKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-9-1-2-12-10(7-9)11(15)8-13(17-12)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2.
What are the key properties of 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 236.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 114708516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).