potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide

C11H13BF3KO — CID 83140603

IUPACpotassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
SMILESCc1cc(OCC2CC2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O.K/c1-8-6-10(16-7-9-2-3-9)4-5-11(8)12(13,14)15;/h4-6,9H,2-3,7H2,1H3;/q-1;+1
InChIKeyRCPPCFFHRDTLRL-UHFFFAOYSA-N
MW268.13 g/mol
LogP-0.16
Rot. Bonds4

About potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide

potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide (PubChem CID 83140603) has the molecular formula C11H13BF3KO and a molecular weight of 268.13 g/mol. Its IUPAC name is potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
PubChem CID83140603
Molecular FormulaC11H13BF3KO
Molecular Weight268.13 g/mol
Exact Mass268.06
IUPAC Namepotassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
SMILESCc1cc(OCC2CC2)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H13BF3O.K/c1-8-6-10(16-7-9-2-3-9)4-5-11(8)12(13,14)15;/h4-6,9H,2-3,7H2,1H3;/q-1;+1
InChIKeyRCPPCFFHRDTLRL-UHFFFAOYSA-N
XLogP-0.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide?
The IUPAC name of potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide (CID 83140603) is potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide?
The canonical SMILES for potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide is Cc1cc(OCC2CC2)ccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide?
The InChIKey is RCPPCFFHRDTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3O.K/c1-8-6-10(16-7-9-2-3-9)4-5-11(8)12(13,14)15;/h4-6,9H,2-3,7H2,1H3;/q-1;+1.
What are the key properties of potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide?
potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide has a molecular weight of 268.13 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide is sourced from PubChem (CID 83140603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).