(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22FNO — CID 104944151

IUPAC(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCC2(CC1)C[C@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C16H22FNO/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14H,2,5-8,10,18H2,1H3/t11?,14-,16?/m0/s1
InChIKeyXBUHPTALYWFAFP-WMEQCIOUSA-N
MW263.36 g/mol
LogP3.95
Rot. Bonds1

About (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104944151) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104944151
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCC2(CC1)C[C@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C16H22FNO/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14H,2,5-8,10,18H2,1H3/t11?,14-,16?/m0/s1
InChIKeyXBUHPTALYWFAFP-WMEQCIOUSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097

Frequently Asked Questions

What is the IUPAC name of (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104944151) is (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC1CCC2(CC1)C[C@H](N)c1cc(F)ccc1O2.
What is the InChIKey of (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is XBUHPTALYWFAFP-WMEQCIOUSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-11-5-7-16(8-6-11)10-14(18)13-9-12(17)3-4-15(13)19-16/h3-4,9,11,14H,2,5-8,10,18H2,1H3/t11?,14-,16?/m0/s1.
What are the key properties of (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104944151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).