(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C15H16BrF3O2 — CID 104951278

IUPAC(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H16BrF3O2/c16-10-1-2-13-11(7-10)12(20)8-14(21-13)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m0/s1
InChIKeyFPNNRAFLURRYIW-PEUVISTOSA-N
MW365.19 g/mol
LogP4.76
Rot. Bonds

About (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104951278) has the molecular formula C15H16BrF3O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104951278
Molecular FormulaC15H16BrF3O2
Molecular Weight365.19 g/mol
Exact Mass364.03
IUPAC Name(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H16BrF3O2/c16-10-1-2-13-11(7-10)12(20)8-14(21-13)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m0/s1
InChIKeyFPNNRAFLURRYIW-PEUVISTOSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791
(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
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951727
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945623
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104951278) is (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is O[C@H]1CC2(CCC(C(F)(F)F)CC2)Oc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is FPNNRAFLURRYIW-PEUVISTOSA-N. The full InChI is InChI=1S/C15H16BrF3O2/c16-10-1-2-13-11(7-10)12(20)8-14(21-13)5-3-9(4-6-14)15(17,18)19/h1-2,7,9,12,20H,3-6,8H2/t9?,12-,14?/m0/s1.
What are the key properties of (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 365.19 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104951278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).