potassium trifluoro(3-phenylmethoxypropyl)boranuide

C10H13BF3KO — CID 130588686

IUPACpotassium trifluoro(3-phenylmethoxypropyl)boranuide
SMILESF[B-](F)(F)CCCOCc1ccccc1.[K+]
InChIInChI=1S/C10H13BF3O.K/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2;/q-1;+1
InChIKeyHABHRLDIYYVQJE-UHFFFAOYSA-N
MW256.12 g/mol
LogP0.44
Rot. Bonds6

About potassium trifluoro(3-phenylmethoxypropyl)boranuide

potassium trifluoro(3-phenylmethoxypropyl)boranuide (PubChem CID 130588686) has the molecular formula C10H13BF3KO and a molecular weight of 256.12 g/mol. Its IUPAC name is potassium trifluoro(3-phenylmethoxypropyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-phenylmethoxypropyl)boranuide
PubChem CID130588686
Molecular FormulaC10H13BF3KO
Molecular Weight256.12 g/mol
Exact Mass256.06
IUPAC Namepotassium trifluoro(3-phenylmethoxypropyl)boranuide
SMILESF[B-](F)(F)CCCOCc1ccccc1.[K+]
InChIInChI=1S/C10H13BF3O.K/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2;/q-1;+1
InChIKeyHABHRLDIYYVQJE-UHFFFAOYSA-N
XLogP0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
CID 91659041
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
butoxymethylbenzene;ethane
CID 145341806
4-(difluoromethoxy)butoxymethylbenzene
CID 122164098
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
lithium;butoxymethylbenzene;hydride
CID 175482454
15-bromopentadecoxymethylbenzene
CID 11338468
3-(3-phenylmethoxypropoxy)propanenitrile
CID 170395256
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-phenylmethoxypropyl)boranuide?
The IUPAC name of potassium trifluoro(3-phenylmethoxypropyl)boranuide (CID 130588686) is potassium trifluoro(3-phenylmethoxypropyl)boranuide.
What is the SMILES notation for potassium trifluoro(3-phenylmethoxypropyl)boranuide?
The canonical SMILES for potassium trifluoro(3-phenylmethoxypropyl)boranuide is F[B-](F)(F)CCCOCc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro(3-phenylmethoxypropyl)boranuide?
The InChIKey is HABHRLDIYYVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O.K/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2;/q-1;+1.
What are the key properties of potassium trifluoro(3-phenylmethoxypropyl)boranuide?
potassium trifluoro(3-phenylmethoxypropyl)boranuide has a molecular weight of 256.12 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-phenylmethoxypropyl)boranuide is sourced from PubChem (CID 130588686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).