potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide

C10H12BF3KN — CID 106745548

IUPACpotassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)c1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H12BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;/q-1;+1
InChIKeyWKUYZDCXXACHPH-UHFFFAOYSA-N
MW253.12 g/mol
LogP0.07
Rot. Bonds4

About potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide (PubChem CID 106745548) has the molecular formula C10H12BF3KN and a molecular weight of 253.12 g/mol. Its IUPAC name is potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide
PubChem CID106745548
Molecular FormulaC10H12BF3KN
Molecular Weight253.12 g/mol
Exact Mass253.07
IUPAC Namepotassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)c1ccccc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H12BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;/q-1;+1
InChIKeyWKUYZDCXXACHPH-UHFFFAOYSA-N
XLogP0.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(N-butylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106746128
N-methyl-N-(2-trimethylsilylprop-2-enyl)aniline
CID 134905924
potassium 3-(N-ethyl-3-methylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106745772
potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745747
potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
CID 106746313
(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
CID 119092948
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
1-(2,5-difluorophenyl)-2-(N-methylanilino)ethanone
CID 43227426
trifluoro-[3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]prop-1-en-2-yl]boranuide
CID 106746198
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
4-(N-methylanilino)-3-oxobutanal
CID 134923271
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide (CID 106745548) is potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide is C=C(CN(C)c1ccccc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide?
The InChIKey is WKUYZDCXXACHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BF3N.K/c1-9(11(12,13)14)8-15(2)10-6-4-3-5-7-10;/h3-7H,1,8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide has a molecular weight of 253.12 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(N-methylanilino)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).