trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide

C12H10BF3NO- — CID 106746410

IUPACtrifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1c(=O)ccc2ccccc21)[B-](F)(F)F
InChIInChI=1S/C12H10BF3NO/c1-9(13(14,15)16)8-17-11-5-3-2-4-10(11)6-7-12(17)18/h2-7H,1,8H2/q-1
InChIKeyKCZNJLYHYMAKLV-UHFFFAOYSA-N
MW252.02 g/mol
LogP2.94
Rot. Bonds3

About trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746410) has the molecular formula C12H10BF3NO- and a molecular weight of 252.02 g/mol. Its IUPAC name is trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746410
Molecular FormulaC12H10BF3NO-
Molecular Weight252.02 g/mol
Exact Mass252.08
IUPAC Nametrifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1c(=O)ccc2ccccc21)[B-](F)(F)F
InChIInChI=1S/C12H10BF3NO/c1-9(13(14,15)16)8-17-11-5-3-2-4-10(11)6-7-12(17)18/h2-7H,1,8H2/q-1
InChIKeyKCZNJLYHYMAKLV-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 52.94
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

1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
CID 103072482
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
CID 103072486
1-ethylquinolin-2-one;hydrochloride
CID 141095108
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
potassium trifluoro-[3-(2-oxo-1-pyridinyl)prop-1-en-2-yl]boranuide
CID 106746313
1-[(2S)-3-iodo-2-methylpropyl]quinolin-2-one
CID 68910508
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
CID 10729461

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide (CID 106746410) is trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide is C=C(Cn1c(=O)ccc2ccccc21)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is KCZNJLYHYMAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BF3NO/c1-9(13(14,15)16)8-17-11-5-3-2-4-10(11)6-7-12(17)18/h2-7H,1,8H2/q-1.
What are the key properties of trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 252.02 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(2-oxoquinolin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).