6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22FNO — CID 114708519

IUPAC6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CCC2(CC(N)c3cc(F)ccc3O2)CC1C
InChIInChI=1S/C16H22FNO/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14H,5-6,8-9,18H2,1-2H3
InChIKeyUZATUMGJRGIYQW-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.80
Rot. Bonds

About 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114708519) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114708519
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC1CCC2(CC(N)c3cc(F)ccc3O2)CC1C
InChIInChI=1S/C16H22FNO/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14H,5-6,8-9,18H2,1-2H3
InChIKeyUZATUMGJRGIYQW-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
(4S)-6-fluoro-2',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944135
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114708519) is 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC1CCC2(CC(N)c3cc(F)ccc3O2)CC1C.
What is the InChIKey of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is UZATUMGJRGIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-5-6-16(8-11(10)2)9-14(18)13-7-12(17)3-4-15(13)19-16/h3-4,7,10-11,14H,5-6,8-9,18H2,1-2H3.
What are the key properties of 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114708519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).