1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole

C14H10ClF3N2O — CID 166161513

IUPAC1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole
SMILESFC(F)(F)Oc1ccc2c(c1)N(c1ccccc1Cl)NC2
InChIInChI=1S/C14H10ClF3N2O/c15-11-3-1-2-4-12(11)20-13-7-10(21-14(16,17)18)6-5-9(13)8-19-20/h1-7,19H,8H2
InChIKeyJJJLIXIXCDNQSO-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.39
Rot. Bonds2

About 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole

1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole (PubChem CID 166161513) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole
PubChem CID166161513
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole
SMILESFC(F)(F)Oc1ccc2c(c1)N(c1ccccc1Cl)NC2
InChIInChI=1S/C14H10ClF3N2O/c15-11-3-1-2-4-12(11)20-13-7-10(21-14(16,17)18)6-5-9(13)8-19-20/h1-7,19H,8H2
InChIKeyJJJLIXIXCDNQSO-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58840067
3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
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CID 148724212
1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
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CID 170997751
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
1-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)cyclopropane-1-carboxamide
CID 155224617
2-(trifluoromethoxy)triphenylene
CID 154001040
6-[2-chloro-5-(trifluoromethoxy)phenyl]-1H-pyridine-2-thione
CID 123703827
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524
1-[(S)-(2-chloro-6-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171274068

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole?
The IUPAC name of 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole (CID 166161513) is 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole.
What is the SMILES notation for 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole?
The canonical SMILES for 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole is FC(F)(F)Oc1ccc2c(c1)N(c1ccccc1Cl)NC2.
What is the InChIKey of 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole?
The InChIKey is JJJLIXIXCDNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-11-3-1-2-4-12(11)20-13-7-10(21-14(16,17)18)6-5-9(13)8-19-20/h1-7,19H,8H2.
What are the key properties of 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole?
1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole has a molecular weight of 314.69 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-(trifluoromethoxy)-2,3-dihydroindazole is sourced from PubChem (CID 166161513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).