6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol

C16H11ClF4O2 — CID 19807756

IUPAC6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C16H11ClF4O2/c17-12-5-9(16(19,20)21)6-13(18)15(12)23-10-3-1-8-2-4-14(22)11(8)7-10/h1,3,5-7,14,22H,2,4H2
InChIKeyRNAQPSDOSBZECY-UHFFFAOYSA-N
MW346.71 g/mol
LogP5.27
Rot. Bonds2

About 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol

6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 19807756) has the molecular formula C16H11ClF4O2 and a molecular weight of 346.71 g/mol. Its IUPAC name is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID19807756
Molecular FormulaC16H11ClF4O2
Molecular Weight346.71 g/mol
Exact Mass346.04
IUPAC Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C16H11ClF4O2/c17-12-5-9(16(19,20)21)6-13(18)15(12)23-10-3-1-8-2-4-14(22)11(8)7-10/h1,3,5-7,14,22H,2,4H2
InChIKeyRNAQPSDOSBZECY-UHFFFAOYSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.71
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol (CID 19807756) is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21.
What is the InChIKey of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RNAQPSDOSBZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4O2/c17-12-5-9(16(19,20)21)6-13(18)15(12)23-10-3-1-8-2-4-14(22)11(8)7-10/h1,3,5-7,14,22H,2,4H2.
What are the key properties of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 346.71 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 19807756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).