potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide

C12H9BF3K — CID 114939397

IUPACpotassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1ccc2c3c(cccc13)CC2.[K+]
InChIInChI=1S/C12H9BF3.K/c14-13(15,16)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2;/q-1;+1
InChIKeyXUFUHSYCTKSVIP-UHFFFAOYSA-N
MW260.11 g/mol
LogP-0.00
Rot. Bonds1

About potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide

potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide (PubChem CID 114939397) has the molecular formula C12H9BF3K and a molecular weight of 260.11 g/mol. Its IUPAC name is potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide
PubChem CID114939397
Molecular FormulaC12H9BF3K
Molecular Weight260.11 g/mol
Exact Mass260.04
IUPAC Namepotassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide
SMILESF[B-](F)(F)c1ccc2c3c(cccc13)CC2.[K+]
InChIInChI=1S/C12H9BF3.K/c14-13(15,16)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2;/q-1;+1
InChIKeyXUFUHSYCTKSVIP-UHFFFAOYSA-N
XLogP-0.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
1,2-dihydroacenaphthylen-5-ylmethanethiol
CID 4002938
1,2-dihydroacenaphthylene;perylene
CID 157201241
trifluoro(5,6,7,8-tetrahydronaphthalen-1-yl)boranuide
CID 63677195
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671
(4-tert-butylphenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 91678703
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
2-(1,2-dihydroacenaphthylen-5-yl)aniline
CID 114939446
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 114939814

Frequently Asked Questions

What is the IUPAC name of potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide?
The IUPAC name of potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide (CID 114939397) is potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide?
The canonical SMILES for potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide is F[B-](F)(F)c1ccc2c3c(cccc13)CC2.[K+].
What is the InChIKey of potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide?
The InChIKey is XUFUHSYCTKSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF3.K/c14-13(15,16)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2;/q-1;+1.
What are the key properties of potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide?
potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide has a molecular weight of 260.11 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2-dihydroacenaphthylen-5-yl(trifluoro)boranuide is sourced from PubChem (CID 114939397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).