difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine

C7H16F2N2O2 — CID 168880743

IUPACdifluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
SMILESCN1CCCC1CON.OC(F)F
InChIInChI=1S/C6H14N2O.CH2F2O/c1-8-4-2-3-6(8)5-9-7;2-1(3)4/h6H,2-5,7H2,1H3;1,4H
InChIKeyKPMRRMNOYBSETD-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.17
Rot. Bonds2

About difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine

difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine (PubChem CID 168880743) has the molecular formula C7H16F2N2O2 and a molecular weight of 198.21 g/mol. Its IUPAC name is difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound Namedifluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
PubChem CID168880743
Molecular FormulaC7H16F2N2O2
Molecular Weight198.21 g/mol
Exact Mass198.12
IUPAC Namedifluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
SMILESCN1CCCC1CON.OC(F)F
InChIInChI=1S/C6H14N2O.CH2F2O/c1-8-4-2-3-6(8)5-9-7;2-1(3)4/h6H,2-5,7H2,1H3;1,4H
InChIKeyKPMRRMNOYBSETD-UHFFFAOYSA-N
XLogP0.17
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 174164491
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
CID 142317689
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
[(2S)-1-methylpyrrolidin-2-yl]methyl N-ethyl-N'-methylcarbamimidate
CID 166822946

Frequently Asked Questions

What is the IUPAC name of difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The IUPAC name of difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine (CID 168880743) is difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine.
What is the SMILES notation for difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The canonical SMILES for difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine is CN1CCCC1CON.OC(F)F.
What is the InChIKey of difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The InChIKey is KPMRRMNOYBSETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.CH2F2O/c1-8-4-2-3-6(8)5-9-7;2-1(3)4/h6H,2-5,7H2,1H3;1,4H.
What are the key properties of difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine has a molecular weight of 198.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 168880743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).