5-(trifluoromethoxy)-1H-indol-7-amine

C9H7F3N2O — CID 174597093

IUPAC5-(trifluoromethoxy)-1H-indol-7-amine
SMILESNc1cc(OC(F)(F)F)cc2cc[nH]c12
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)15-6-3-5-1-2-14-8(5)7(13)4-6/h1-4,14H,13H2
InChIKeyYXRNPULAUMMKGY-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.65
Rot. Bonds1

About 5-(trifluoromethoxy)-1H-indol-7-amine

5-(trifluoromethoxy)-1H-indol-7-amine (PubChem CID 174597093) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1H-indol-7-amine.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1H-indol-7-amine
PubChem CID174597093
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name5-(trifluoromethoxy)-1H-indol-7-amine
SMILESNc1cc(OC(F)(F)F)cc2cc[nH]c12
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)15-6-3-5-1-2-14-8(5)7(13)4-6/h1-4,14H,13H2
InChIKeyYXRNPULAUMMKGY-UHFFFAOYSA-N
XLogP2.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-1H-indol-7-amine
CID 86702437
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
5-(trifluoromethoxy)-1H-pyridine-2-thione
CID 119083472
5-propan-2-yl-1H-indol-7-amine
CID 130368209
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene-1,2-diamine
CID 89404596
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
CID 126674741
4-(trifluoromethoxy)benzene-1,2-diamine;6-(trifluoromethoxy)-1H-benzimidazole
CID 159077762

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-1H-indol-7-amine?
The IUPAC name of 5-(trifluoromethoxy)-1H-indol-7-amine (CID 174597093) is 5-(trifluoromethoxy)-1H-indol-7-amine.
What is the SMILES notation for 5-(trifluoromethoxy)-1H-indol-7-amine?
The canonical SMILES for 5-(trifluoromethoxy)-1H-indol-7-amine is Nc1cc(OC(F)(F)F)cc2cc[nH]c12.
What is the InChIKey of 5-(trifluoromethoxy)-1H-indol-7-amine?
The InChIKey is YXRNPULAUMMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)15-6-3-5-1-2-14-8(5)7(13)4-6/h1-4,14H,13H2.
What are the key properties of 5-(trifluoromethoxy)-1H-indol-7-amine?
5-(trifluoromethoxy)-1H-indol-7-amine has a molecular weight of 216.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1H-indol-7-amine is sourced from PubChem (CID 174597093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).