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

C15H16F4O2 — CID 104948172

IUPAC(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCCC(C(F)(F)F)C2)Oc2ccc(F)cc21
InChIInChI=1S/C15H16F4O2/c16-10-3-4-13-11(6-10)12(20)8-14(21-13)5-1-2-9(7-14)15(17,18)19/h3-4,6,9,12,20H,1-2,5,7-8H2/t9?,12-,14?/m0/s1
InChIKeyYZNBBGDSQMIYOC-PEUVISTOSA-N
MW304.28 g/mol
LogP4.13
Rot. Bonds

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

(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104948172) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104948172
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCCC(C(F)(F)F)C2)Oc2ccc(F)cc21
InChIInChI=1S/C15H16F4O2/c16-10-3-4-13-11(6-10)12(20)8-14(21-13)5-1-2-9(7-14)15(17,18)19/h3-4,6,9,12,20H,1-2,5,7-8H2/t9?,12-,14?/m0/s1
InChIKeyYZNBBGDSQMIYOC-PEUVISTOSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104948172) is (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is O[C@H]1CC2(CCCC(C(F)(F)F)C2)Oc2ccc(F)cc21.
What is the InChIKey of (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is YZNBBGDSQMIYOC-PEUVISTOSA-N. The full InChI is InChI=1S/C15H16F4O2/c16-10-3-4-13-11(6-10)12(20)8-14(21-13)5-1-2-9(7-14)15(17,18)19/h3-4,6,9,12,20H,1-2,5,7-8H2/t9?,12-,14?/m0/s1.
What are the key properties of (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 304.28 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104948172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).