(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol

C28H34F3NO2 — CID 53467749

IUPAC(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCCCC1)[C@@H](O)CC(C)(C)C2
InChIInChI=1S/C28H34F3NO2/c1-16(2)24-22-23(21-19(32-24)14-26(3,4)15-20(21)33)27(12-6-5-7-13-27)34-25(22)17-8-10-18(11-9-17)28(29,30)31/h8-11,16,20,25,33H,5-7,12-15H2,1-4H3/t20-,25+/m0/s1
InChIKeyBIAFLADRKHVXOW-NBGIEHNGSA-N
MW473.58 g/mol
LogP7.51
Rot. Bonds2

About (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol

(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol (PubChem CID 53467749) has the molecular formula C28H34F3NO2 and a molecular weight of 473.58 g/mol. Its IUPAC name is (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol.

Molecular Properties

Compound Name(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol
PubChem CID53467749
Molecular FormulaC28H34F3NO2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCCCC1)[C@@H](O)CC(C)(C)C2
InChIInChI=1S/C28H34F3NO2/c1-16(2)24-22-23(21-19(32-24)14-26(3,4)15-20(21)33)27(12-6-5-7-13-27)34-25(22)17-8-10-18(11-9-17)28(29,30)31/h8-11,16,20,25,33H,5-7,12-15H2,1-4H3/t20-,25+/m0/s1
InChIKeyBIAFLADRKHVXOW-NBGIEHNGSA-N
XLogP7.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-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 (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol?
The IUPAC name of (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol (CID 53467749) is (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol.
What is the SMILES notation for (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol?
The canonical SMILES for (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol is CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC31CCCCC1)[C@@H](O)CC(C)(C)C2.
What is the InChIKey of (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol?
The InChIKey is BIAFLADRKHVXOW-NBGIEHNGSA-N. The full InChI is InChI=1S/C28H34F3NO2/c1-16(2)24-22-23(21-19(32-24)14-26(3,4)15-20(21)33)27(12-6-5-7-13-27)34-25(22)17-8-10-18(11-9-17)28(29,30)31/h8-11,16,20,25,33H,5-7,12-15H2,1-4H3/t20-,25+/m0/s1.
What are the key properties of (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol?
(3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol has a molecular weight of 473.58 g/mol, XLogP of 7.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9S)-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclohexane]-9-ol is sourced from PubChem (CID 53467749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).