1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol

C16H10F6N2O2 — CID 162582582

IUPAC1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol
SMILESOC(COc1c(F)ccc(F)c1F)(c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C16H10F6N2O2/c17-10-2-3-11(18)14(13(10)19)26-7-15(25,16(20,21)22)9-1-4-12-8(5-9)6-23-24-12/h1-6,25H,7H2,(H,23,24)
InChIKeyBSRLQVGQKGBNIF-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.81
Rot. Bonds4

About 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol

1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol (PubChem CID 162582582) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol
PubChem CID162582582
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC Name1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol
SMILESOC(COc1c(F)ccc(F)c1F)(c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C16H10F6N2O2/c17-10-2-3-11(18)14(13(10)19)26-7-15(25,16(20,21)22)9-1-4-12-8(5-9)6-23-24-12/h1-6,25H,7H2,(H,23,24)
InChIKeyBSRLQVGQKGBNIF-UHFFFAOYSA-N
XLogP3.81
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol with MolForge

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Related Compounds

6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645465
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645467
6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645468
6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645470
6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645471
5-[2-(trifluoromethoxy)phenyl]-1H-indazole
CID 90645449
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598
6-(3-ethoxy-2,6-difluorophenyl)-1H-indazole
CID 145950580
6-(3-ethoxy-5-fluorophenyl)-1H-indazole
CID 145958261
6-[(4-Fluorophenyl)methoxy]-1H-indazole
CID 165357276
5-[(4-Fluorophenyl)methoxy]-1h-indazole
CID 169488861

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol (CID 162582582) is 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol is OC(COc1c(F)ccc(F)c1F)(c1ccc2[nH]ncc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol?
The InChIKey is BSRLQVGQKGBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-10-2-3-11(18)14(13(10)19)26-7-15(25,16(20,21)22)9-1-4-12-8(5-9)6-23-24-12/h1-6,25H,7H2,(H,23,24).
What are the key properties of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol?
1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol has a molecular weight of 376.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol is sourced from PubChem (CID 162582582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).