(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

C12H9F7O2 — CID 134259147

IUPAC(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C12H9F7O2/c13-8(14)4-21-7-2-1-6(12(17,18)19)9-5(7)3-11(15,16)10(9)20/h1-2,8,10,20H,3-4H2/t10-/m0/s1
InChIKeyFNANGCASCFFSOV-JTQLQIEISA-N
MW318.19 g/mol
LogP3.57
Rot. Bonds3

About (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (PubChem CID 134259147) has the molecular formula C12H9F7O2 and a molecular weight of 318.19 g/mol. Its IUPAC name is (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
PubChem CID134259147
Molecular FormulaC12H9F7O2
Molecular Weight318.19 g/mol
Exact Mass318.05
IUPAC Name(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C12H9F7O2/c13-8(14)4-21-7-2-1-6(12(17,18)19)9-5(7)3-11(15,16)10(9)20/h1-2,8,10,20H,3-4H2/t10-/m0/s1
InChIKeyFNANGCASCFFSOV-JTQLQIEISA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-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)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The IUPAC name of (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (CID 134259147) is (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is O[C@H]1c2c(C(F)(F)F)ccc(OCC(F)F)c2CC1(F)F.
What is the InChIKey of (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The InChIKey is FNANGCASCFFSOV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H9F7O2/c13-8(14)4-21-7-2-1-6(12(17,18)19)9-5(7)3-11(15,16)10(9)20/h1-2,8,10,20H,3-4H2/t10-/m0/s1.
What are the key properties of (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol has a molecular weight of 318.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).