4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole

C15H9ClF4N2 — CID 91018669

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole
SMILESFc1cc(Cl)ccc1Cc1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C15H9ClF4N2/c16-11-2-1-8(13(17)6-11)3-9-4-10(15(18,19)20)5-14-12(9)7-21-22-14/h1-2,4-7H,3H2,(H,21,22)
InChIKeyNDSFJUVOOYQXCF-UHFFFAOYSA-N
MW328.70 g/mol
LogP4.97
Rot. Bonds2

About 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole

4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole (PubChem CID 91018669) has the molecular formula C15H9ClF4N2 and a molecular weight of 328.70 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole
PubChem CID91018669
Molecular FormulaC15H9ClF4N2
Molecular Weight328.70 g/mol
Exact Mass328.04
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole
SMILESFc1cc(Cl)ccc1Cc1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C15H9ClF4N2/c16-11-2-1-8(13(17)6-11)3-9-4-10(15(18,19)20)5-14-12(9)7-21-22-14/h1-2,4-7H,3H2,(H,21,22)
InChIKeyNDSFJUVOOYQXCF-UHFFFAOYSA-N
XLogP4.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-3-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844769
N-(3-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844770
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
CID 90645472
6-methyl-4-phenyl-1H-indazole
CID 127046306
5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645452
4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645454
6-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645455
6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645459
6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645461

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole (CID 91018669) is 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole is Fc1cc(Cl)ccc1Cc1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole?
The InChIKey is NDSFJUVOOYQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2/c16-11-2-1-8(13(17)6-11)3-9-4-10(15(18,19)20)5-14-12(9)7-21-22-14/h1-2,4-7H,3H2,(H,21,22).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole?
4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole has a molecular weight of 328.70 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 91018669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).