1-[3-(trifluoromethyl)phenyl]indazole

C14H9F3N2 — CID 21044942

IUPAC1-[3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18-19/h1-9H
InChIKeyZKIKZPWHKFHTQZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.04
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]indazole

1-[3-(trifluoromethyl)phenyl]indazole (PubChem CID 21044942) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]indazole
PubChem CID21044942
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cccc(-n2ncc3ccccc32)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18-19/h1-9H
InChIKeyZKIKZPWHKFHTQZ-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]indazole (CID 21044942) is 1-[3-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]indazole is FC(F)(F)c1cccc(-n2ncc3ccccc32)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]indazole?
The InChIKey is ZKIKZPWHKFHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-5-3-6-12(8-11)19-13-7-2-1-4-10(13)9-18-19/h1-9H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]indazole?
1-[3-(trifluoromethyl)phenyl]indazole has a molecular weight of 262.23 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 21044942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).