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

C16H22FNO — CID 114710216

IUPAC7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
SMILESCC1(C)CCC2(CC1)CC(N)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-15(2)5-7-16(8-6-15)10-13(18)12-4-3-11(17)9-14(12)19-16/h3-4,9,13H,5-8,10,18H2,1-2H3
InChIKeyIQUFDYQTEHQPKS-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.95
Rot. Bonds

About 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine

7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine (PubChem CID 114710216) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine.

Molecular Properties

Compound Name7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
PubChem CID114710216
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
SMILESCC1(C)CCC2(CC1)CC(N)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-15(2)5-7-16(8-6-15)10-13(18)12-4-3-11(17)9-14(12)19-16/h3-4,9,13H,5-8,10,18H2,1-2H3
InChIKeyIQUFDYQTEHQPKS-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710301
(4S)-7-fluoro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947626
(4R)-7-fluoro-3'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875207
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104947934
(4S)-7-fluoro-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951789
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947698
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The IUPAC name of 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine (CID 114710216) is 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine.
What is the SMILES notation for 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The canonical SMILES for 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine is CC1(C)CCC2(CC1)CC(N)c1ccc(F)cc1O2.
What is the InChIKey of 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
The InChIKey is IQUFDYQTEHQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-15(2)5-7-16(8-6-15)10-13(18)12-4-3-11(17)9-14(12)19-16/h3-4,9,13H,5-8,10,18H2,1-2H3.
What are the key properties of 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine?
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine is sourced from PubChem (CID 114710216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).