(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

C17H24FNO2 — CID 104948042

IUPAC(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCC(C)N1CCCC2(CC1)C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C17H24FNO2/c1-12(2)19-8-3-6-17(7-9-19)11-15(20)14-10-13(18)4-5-16(14)21-17/h4-5,10,12,15,20H,3,6-9,11H2,1-2H3/t15-,17?/m0/s1
InChIKeyBRGLHESXXQMGFN-MYJWUSKBSA-N
MW293.38 g/mol
LogP3.27
Rot. Bonds1

About (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (PubChem CID 104948042) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
PubChem CID104948042
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCC(C)N1CCCC2(CC1)C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C17H24FNO2/c1-12(2)19-8-3-6-17(7-9-19)11-15(20)14-10-13(18)4-5-16(14)21-17/h4-5,10,12,15,20H,3,6-9,11H2,1-2H3/t15-,17?/m0/s1
InChIKeyBRGLHESXXQMGFN-MYJWUSKBSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol with MolForge

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Related Compounds

(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
(4S)-7-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949647
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
(4R)-6-fluoro-1'-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503486
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
CID 104951572
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4R)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948425
(4S)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948203

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The IUPAC name of (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (CID 104948042) is (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.
What is the SMILES notation for (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The canonical SMILES for (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is CC(C)N1CCCC2(CC1)C[C@H](O)c1cc(F)ccc1O2.
What is the InChIKey of (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The InChIKey is BRGLHESXXQMGFN-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(2)19-8-3-6-17(7-9-19)11-15(20)14-10-13(18)4-5-16(14)21-17/h4-5,10,12,15,20H,3,6-9,11H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol has a molecular weight of 293.38 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is sourced from PubChem (CID 104948042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).