(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C12H10F6O2 — CID 134259259

IUPAC(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2C[C@H]1F
InChIInChI=1S/C12H10F6O2/c13-7-3-5-8(20-4-9(14)15)2-1-6(12(16,17)18)10(5)11(7)19/h1-2,7,9,11,19H,3-4H2/t7-,11-/m1/s1
InChIKeyLQCAHHIJKOIOTB-RDDDGLTNSA-N
MW300.20 g/mol
LogP3.28
Rot. Bonds3

About (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 134259259) has the molecular formula C12H10F6O2 and a molecular weight of 300.20 g/mol. Its IUPAC name is (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID134259259
Molecular FormulaC12H10F6O2
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Name(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2C[C@H]1F
InChIInChI=1S/C12H10F6O2/c13-7-3-5-8(20-4-9(14)15)2-1-6(12(16,17)18)10(5)11(7)19/h1-2,7,9,11,19H,3-4H2/t7-,11-/m1/s1
InChIKeyLQCAHHIJKOIOTB-RDDDGLTNSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
2-(4-Hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493174
2-Pentoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493222
(3S)-7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 117946995
3-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947104
4-(3,5-Difluorophenoxy)-7-dimethylphosphoryl-2,2-difluoro-1,3-dihydroinden-1-ol
CID 141758062
4-(Hydroxymethyl)-2-methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493171

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 134259259) is (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2C[C@H]1F.
What is the InChIKey of (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LQCAHHIJKOIOTB-RDDDGLTNSA-N. The full InChI is InChI=1S/C12H10F6O2/c13-7-3-5-8(20-4-9(14)15)2-1-6(12(16,17)18)10(5)11(7)19/h1-2,7,9,11,19H,3-4H2/t7-,11-/m1/s1.
What are the key properties of (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 300.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 134259259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).