potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide

C9H12BF3KN — CID 119005320

IUPACpotassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide
SMILESCN(C)Cc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H12BF3N.K/c1-14(2)7-8-3-5-9(6-4-8)10(11,12)13;/h3-6H,7H2,1-2H3;/q-1;+1
InChIKeyQCAURXKDHUCWDK-UHFFFAOYSA-N
MW241.11 g/mol
LogP-1.19
Rot. Bonds3

About potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide

potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide (PubChem CID 119005320) has the molecular formula C9H12BF3KN and a molecular weight of 241.11 g/mol. Its IUPAC name is potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide
PubChem CID119005320
Molecular FormulaC9H12BF3KN
Molecular Weight241.11 g/mol
Exact Mass241.07
IUPAC Namepotassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide
SMILESCN(C)Cc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C9H12BF3N.K/c1-14(2)7-8-3-5-9(6-4-8)10(11,12)13;/h3-6H,7H2,1-2H3;/q-1;+1
InChIKeyQCAURXKDHUCWDK-UHFFFAOYSA-N
XLogP-1.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 5-1.19
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

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N,N-dimethyl-1-phenylmethanamine;hydrobromide
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N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
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4-[(dimethylamino)methyl]-N-methylaniline
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[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
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Frequently Asked Questions

What is the IUPAC name of potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide (CID 119005320) is potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide is CN(C)Cc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide?
The InChIKey is QCAURXKDHUCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BF3N.K/c1-14(2)7-8-3-5-9(6-4-8)10(11,12)13;/h3-6H,7H2,1-2H3;/q-1;+1.
What are the key properties of potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide?
potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide has a molecular weight of 241.11 g/mol, XLogP of -1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-[(dimethylamino)methyl]phenyl]-trifluoroboranuide is sourced from PubChem (CID 119005320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).