6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole

C17H16F2N2 — CID 171760609

IUPAC6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole
SMILESCC(C)c1ccc(-c2cc(F)cc3nn(C)cc23)cc1F
InChIInChI=1S/C17H16F2N2/c1-10(2)13-5-4-11(6-16(13)19)14-7-12(18)8-17-15(14)9-21(3)20-17/h4-10H,1-3H3
InChIKeyHIGSCTKXANSEIZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.64
Rot. Bonds2

About 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole

6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole (PubChem CID 171760609) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole.

Molecular Properties

Compound Name6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole
PubChem CID171760609
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole
SMILESCC(C)c1ccc(-c2cc(F)cc3nn(C)cc23)cc1F
InChIInChI=1S/C17H16F2N2/c1-10(2)13-5-4-11(6-16(13)19)14-7-12(18)8-17-15(14)9-21(3)20-17/h4-10H,1-3H3
InChIKeyHIGSCTKXANSEIZ-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole?
The IUPAC name of 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole (CID 171760609) is 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole.
What is the SMILES notation for 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole?
The canonical SMILES for 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole is CC(C)c1ccc(-c2cc(F)cc3nn(C)cc23)cc1F.
What is the InChIKey of 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole?
The InChIKey is HIGSCTKXANSEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-10(2)13-5-4-11(6-16(13)19)14-7-12(18)8-17-15(14)9-21(3)20-17/h4-10H,1-3H3.
What are the key properties of 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole?
6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole has a molecular weight of 286.33 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole is sourced from PubChem (CID 171760609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).