potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide

C7H14BF3KNO — CID 63703072

IUPACpotassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide
SMILESCN(CC1CCCO1)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)5-7-3-2-4-13-7;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDEWWYFIDOZTHMK-UHFFFAOYSA-N
MW235.10 g/mol
LogP-1.51
Rot. Bonds4

About potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide

potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide (PubChem CID 63703072) has the molecular formula C7H14BF3KNO and a molecular weight of 235.10 g/mol. Its IUPAC name is potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide
PubChem CID63703072
Molecular FormulaC7H14BF3KNO
Molecular Weight235.10 g/mol
Exact Mass235.08
IUPAC Namepotassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide
SMILESCN(CC1CCCO1)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)5-7-3-2-4-13-7;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyDEWWYFIDOZTHMK-UHFFFAOYSA-N
XLogP-1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide (CID 63703072) is potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide is CN(CC1CCCO1)C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide?
The InChIKey is DEWWYFIDOZTHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO.K/c1-12(6-8(9,10)11)5-7-3-2-4-13-7;/h7H,2-6H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide?
potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide has a molecular weight of 235.10 g/mol, XLogP of -1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide is sourced from PubChem (CID 63703072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).