2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol

C22H16F4N2O2 — CID 15979410

IUPAC2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O2/c1-30-20-12-16(23)8-9-18(20)21(29,22(24,25)26)15-7-10-19-14(11-15)13-27-28(19)17-5-3-2-4-6-17/h2-13,29H,1H3
InChIKeyPKRQTBKPDHQSOK-UHFFFAOYSA-N
MW416.37 g/mol
LogP4.97
Rot. Bonds4

About 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979410) has the molecular formula C22H16F4N2O2 and a molecular weight of 416.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979410
Molecular FormulaC22H16F4N2O2
Molecular Weight416.37 g/mol
Exact Mass416.11
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O2/c1-30-20-12-16(23)8-9-18(20)21(29,22(24,25)26)15-7-10-19-14(11-15)13-27-28(19)17-5-3-2-4-6-17/h2-13,29H,1H3
InChIKeyPKRQTBKPDHQSOK-UHFFFAOYSA-N
XLogP4.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15979410) is 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is COc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is PKRQTBKPDHQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O2/c1-30-20-12-16(23)8-9-18(20)21(29,22(24,25)26)15-7-10-19-14(11-15)13-27-28(19)17-5-3-2-4-6-17/h2-13,29H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 416.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-fluoro-2-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).