potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide

C13H18BF3KNO3 — CID 113443476

IUPACpotassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
SMILESCOc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H18BF3NO3.K/c1-19-11-2-3-13(12(10-11)14(15,16)17)21-9-6-18-4-7-20-8-5-18;/h2-3,10H,4-9H2,1H3;/q-1;+1
InChIKeyCZRTVEYZLQQCCT-UHFFFAOYSA-N
MW343.19 g/mol
LogP-1.54
Rot. Bonds6

About potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide

potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide (PubChem CID 113443476) has the molecular formula C13H18BF3KNO3 and a molecular weight of 343.19 g/mol. Its IUPAC name is potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
PubChem CID113443476
Molecular FormulaC13H18BF3KNO3
Molecular Weight343.19 g/mol
Exact Mass343.10
IUPAC Namepotassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
SMILESCOc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H18BF3NO3.K/c1-19-11-2-3-13(12(10-11)14(15,16)17)21-9-6-18-4-7-20-8-5-18;/h2-3,10H,4-9H2,1H3;/q-1;+1
InChIKeyCZRTVEYZLQQCCT-UHFFFAOYSA-N
XLogP-1.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 63676214
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
potassium trifluoro-[5-methoxy-2-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]boranuide
CID 114279067
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
CID 104706284
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide (CID 113443476) is potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide is COc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The InChIKey is CZRTVEYZLQQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF3NO3.K/c1-19-11-2-3-13(12(10-11)14(15,16)17)21-9-6-18-4-7-20-8-5-18;/h2-3,10H,4-9H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide has a molecular weight of 343.19 g/mol, XLogP of -1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 113443476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).