6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine

C16H15F2N3O — CID 126716670

IUPAC6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine
SMILESCC(F)(F)c1ccc(COc2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C16H15F2N3O/c1-16(17,18)11-4-2-10(3-5-11)9-22-12-6-7-13-14(8-12)20-21-15(13)19/h2-8H,9H2,1H3,(H3,19,20,21)
InChIKeyYBNFGZNURRHPIJ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.84
Rot. Bonds4

About 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine

6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine (PubChem CID 126716670) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine
PubChem CID126716670
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine
SMILESCC(F)(F)c1ccc(COc2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C16H15F2N3O/c1-16(17,18)11-4-2-10(3-5-11)9-22-12-6-7-13-14(8-12)20-21-15(13)19/h2-8H,9H2,1H3,(H3,19,20,21)
InChIKeyYBNFGZNURRHPIJ-UHFFFAOYSA-N
XLogP3.84
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-ethylphenyl)methoxy]-1H-indazol-3-amine
CID 126696095
6-[(3-chlorophenyl)methoxy]-1H-indazol-3-amine
CID 126696122
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
CID 158287179
5-ethoxy-1H-indazol-3-amine
CID 21409200
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanimine
CID 140707692
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
2-bromo-5-[(4-tert-butylphenoxy)methyl]aniline
CID 115557439

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine?
The IUPAC name of 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine (CID 126716670) is 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine.
What is the SMILES notation for 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine?
The canonical SMILES for 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine is CC(F)(F)c1ccc(COc2ccc3c(N)n[nH]c3c2)cc1.
What is the InChIKey of 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine?
The InChIKey is YBNFGZNURRHPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c1-16(17,18)11-4-2-10(3-5-11)9-22-12-6-7-13-14(8-12)20-21-15(13)19/h2-8H,9H2,1H3,(H3,19,20,21).
What are the key properties of 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine?
6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine has a molecular weight of 303.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126716670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).