3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide

C7H11BF6N- — CID 106745916

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC(F)(F)F)[B-](F)(F)F
InChIInChI=1S/C7H11BF6N/c1-3-15(5-7(9,10)11)4-6(2)8(12,13)14/h2-5H2,1H3/q-1
InChIKeyFOUAPBSXJLQMKQ-UHFFFAOYSA-N
MW233.97 g/mol
LogP2.81
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide

3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745916) has the molecular formula C7H11BF6N- and a molecular weight of 233.97 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745916
Molecular FormulaC7H11BF6N-
Molecular Weight233.97 g/mol
Exact Mass234.09
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC(F)(F)F)[B-](F)(F)F
InChIInChI=1S/C7H11BF6N/c1-3-15(5-7(9,10)11)4-6(2)8(12,13)14/h2-5H2,1H3/q-1
InChIKeyFOUAPBSXJLQMKQ-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.97
LogP ≤ 52.81
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

potassium 3-[bis(2-methoxyethyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745833
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679781
3-[butan-2-yl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745676
2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
CID 64826486
potassium 3-[cyclopropyl(propyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745699
2-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]oxy-1,1-difluoroethanesulfonic acid
CID 118030918
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554982
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55010595
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64821124

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745916) is 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CC)CC(F)(F)F)[B-](F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is FOUAPBSXJLQMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF6N/c1-3-15(5-7(9,10)11)4-6(2)8(12,13)14/h2-5H2,1H3/q-1.
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 233.97 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).