1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

C21H13ClF4N2O — CID 46888466

IUPAC1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C21H13ClF4N2O/c22-18-4-2-1-3-17(18)20(29,21(24,25)26)14-5-10-19-13(11-14)12-27-28(19)16-8-6-15(23)7-9-16/h1-12,29H
InChIKeyDYFMSSLEGYQXOR-UHFFFAOYSA-N
MW420.79 g/mol
LogP5.62
Rot. Bonds3

About 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (PubChem CID 46888466) has the molecular formula C21H13ClF4N2O and a molecular weight of 420.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
PubChem CID46888466
Molecular FormulaC21H13ClF4N2O
Molecular Weight420.79 g/mol
Exact Mass420.07
IUPAC Name1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C21H13ClF4N2O/c22-18-4-2-1-3-17(18)20(29,21(24,25)26)14-5-10-19-13(11-14)12-27-28(19)16-8-6-15(23)7-9-16/h1-12,29H
InChIKeyDYFMSSLEGYQXOR-UHFFFAOYSA-N
XLogP5.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888391
1-(3-Chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888441
1-(2,3-Dichlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-YL)ethanol (enantiomeric mix)
CID 46888467
1-(3,4-dichlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888415
1-(3-chlorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888439
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-m-tolylethanol
CID 46888416
3-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
CID 46888440
2-Fluoro-5-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]benzonitrile;hydrochloride
CID 46888442
2-chloro-4-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
CID 46888443
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-o-tolylethanol
CID 46888464
2,2,2-trifluoro-1-(2-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888465
1-(2-chloropyridin-4-yl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888468

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (CID 46888466) is 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The InChIKey is DYFMSSLEGYQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N2O/c22-18-4-2-1-3-17(18)20(29,21(24,25)26)14-5-10-19-13(11-14)12-27-28(19)16-8-6-15(23)7-9-16/h1-12,29H.
What are the key properties of 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol has a molecular weight of 420.79 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is sourced from PubChem (CID 46888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).