O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine

C10H9F3N2O — CID 117197300

IUPACO-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
SMILESNOCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-3-1-2-7-6(5-16-14)4-15-9(7)8/h1-4,15H,5,14H2
InChIKeyCBLZKTBTEVQSQY-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.58
Rot. Bonds2

About O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine

O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine (PubChem CID 117197300) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
PubChem CID117197300
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC NameO-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
SMILESNOCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-3-1-2-7-6(5-16-14)4-15-9(7)8/h1-4,15H,5,14H2
InChIKeyCBLZKTBTEVQSQY-UHFFFAOYSA-N
XLogP2.58
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
2-(aminooxymethyl)-6-(trifluoromethyl)phenol
CID 117295390
[(1S)-1-carboxy-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]azanium;2,2,2-trifluoroacetate
CID 164775571
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117181955
O-[2-(7-fluoro-1H-indol-3-yl)ethyl]hydroxylamine
CID 83484408
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-[7-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451418

Frequently Asked Questions

What is the IUPAC name of O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine (CID 117197300) is O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine is NOCc1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine?
The InChIKey is CBLZKTBTEVQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)8-3-1-2-7-6(5-16-14)4-15-9(7)8/h1-4,15H,5,14H2.
What are the key properties of O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine?
O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine has a molecular weight of 230.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 117197300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).