trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide

C10H13BF3N2- — CID 106745748

IUPACtrifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1ccncc1)[B-](F)(F)F
InChIInChI=1S/C10H13BF3N2/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10/h3-6H,1,7-8H2,2H3/q-1
InChIKeyUGQHNKZKQWGZME-UHFFFAOYSA-N
MW229.03 g/mol
LogP2.46
Rot. Bonds5

About trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide

trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745748) has the molecular formula C10H13BF3N2- and a molecular weight of 229.03 g/mol. Its IUPAC name is trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745748
Molecular FormulaC10H13BF3N2-
Molecular Weight229.03 g/mol
Exact Mass229.11
IUPAC Nametrifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1ccncc1)[B-](F)(F)F
InChIInChI=1S/C10H13BF3N2/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10/h3-6H,1,7-8H2,2H3/q-1
InChIKeyUGQHNKZKQWGZME-UHFFFAOYSA-N
XLogP2.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.03
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745747
trifluoro-[3-[methyl(pyridin-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745744
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 79259077
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide (CID 106745748) is trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)Cc1ccncc1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is UGQHNKZKQWGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3N2/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10/h3-6H,1,7-8H2,2H3/q-1.
What are the key properties of trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 229.03 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).