ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine

C9H15F3N2O — CID 154656250

IUPACethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine
SMILESCC.NOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O.C2H6/c8-7(9,10)6-1-2-12(5-6)3-4-13-11;1-2/h1-2,5H,3-4,11H2;1-2H3
InChIKeyQSKJTRDUGGENNE-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.42
Rot. Bonds3

About ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine

ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine (PubChem CID 154656250) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine.

Molecular Properties

Compound Nameethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine
PubChem CID154656250
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Nameethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine
SMILESCC.NOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O.C2H6/c8-7(9,10)6-1-2-12(5-6)3-4-13-11;1-2/h1-2,5H,3-4,11H2;1-2H3
InChIKeyQSKJTRDUGGENNE-UHFFFAOYSA-N
XLogP2.42
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1H-pyrrole
CID 10964417
1-(1-Methoxypropan-2-yl)-1H-pyrrole
CID 5036497
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379
1-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethyl]-1 H pyrrole
CID 24880294
1-Ethyl-3-methyl-1H-pyrrole
CID 12260467
1-(2-Methoxyethyl)-1H-pyrrole
CID 14814650
N-[2-(vinyloxy)ethyl]pyrrole
CID 85816906
1H-Pyrrole, 1-methyl-3-(trifluoromethyl)-
CID 10464487
1-Tert-butyl-3-(trifluoromethyl)pyrrole
CID 20753565
1-[1-(1,1-Difluorobutoxy)-2,2,2-trifluoroethyl]pyrrole
CID 57667493
3-(Difluoromethyl)-1-methylpyrrole
CID 76529725

Frequently Asked Questions

What is the IUPAC name of ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine?
The IUPAC name of ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine (CID 154656250) is ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine.
What is the SMILES notation for ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine?
The canonical SMILES for ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine is CC.NOCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine?
The InChIKey is QSKJTRDUGGENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O.C2H6/c8-7(9,10)6-1-2-12(5-6)3-4-13-11;1-2/h1-2,5H,3-4,11H2;1-2H3.
What are the key properties of ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine?
ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine has a molecular weight of 224.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]hydroxylamine is sourced from PubChem (CID 154656250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).