potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide

C11H14BF3KN — CID 63702785

IUPACpotassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
SMILESCc1ccc2c(c1)CCCN2C[B-](F)(F)F.[K+]
InChIInChI=1S/C11H14BF3N.K/c1-9-4-5-11-10(7-9)3-2-6-16(11)8-12(13,14)15;/h4-5,7H,2-3,6,8H2,1H3;/q-1;+1
InChIKeySUEXEWZIZPFPTC-UHFFFAOYSA-N
MW267.14 g/mol
LogP0.14
Rot. Bonds2

About potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide

potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide (PubChem CID 63702785) has the molecular formula C11H14BF3KN and a molecular weight of 267.14 g/mol. Its IUPAC name is potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
PubChem CID63702785
Molecular FormulaC11H14BF3KN
Molecular Weight267.14 g/mol
Exact Mass267.08
IUPAC Namepotassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide
SMILESCc1ccc2c(c1)CCCN2C[B-](F)(F)F.[K+]
InChIInChI=1S/C11H14BF3N.K/c1-9-4-5-11-10(7-9)3-2-6-16(11)8-12(13,14)15;/h4-5,7H,2-3,6,8H2,1H3;/q-1;+1
InChIKeySUEXEWZIZPFPTC-UHFFFAOYSA-N
XLogP0.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 50.14
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

ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 115980030
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide (CID 63702785) is potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide is Cc1ccc2c(c1)CCCN2C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide?
The InChIKey is SUEXEWZIZPFPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3N.K/c1-9-4-5-11-10(7-9)3-2-6-16(11)8-12(13,14)15;/h4-5,7H,2-3,6,8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide?
potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide has a molecular weight of 267.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]boranuide is sourced from PubChem (CID 63702785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).