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

C13H18BF3NO2- — CID 63676214

IUPACtrifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
SMILESCc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1
InChIInChI=1S/C13H18BF3NO2/c1-11-2-3-13(12(10-11)14(15,16)17)20-9-6-18-4-7-19-8-5-18/h2-3,10H,4-9H2,1H3/q-1
InChIKeyRDPBGYPSNGQWOL-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.76
Rot. Bonds5

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

trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide (PubChem CID 63676214) has the molecular formula C13H18BF3NO2- and a molecular weight of 288.10 g/mol. Its IUPAC name is trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
PubChem CID63676214
Molecular FormulaC13H18BF3NO2-
Molecular Weight288.10 g/mol
Exact Mass288.14
IUPAC Nametrifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
SMILESCc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1
InChIInChI=1S/C13H18BF3NO2/c1-11-2-3-13(12(10-11)14(15,16)17)20-9-6-18-4-7-19-8-5-18/h2-3,10H,4-9H2,1H3/q-1
InChIKeyRDPBGYPSNGQWOL-UHFFFAOYSA-N
XLogP1.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833

Frequently Asked Questions

What is the IUPAC name of trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide (CID 63676214) is trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide is Cc1ccc(OCCN2CCOCC2)c([B-](F)(F)F)c1.
What is the InChIKey of trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
The InChIKey is RDPBGYPSNGQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF3NO2/c1-11-2-3-13(12(10-11)14(15,16)17)20-9-6-18-4-7-19-8-5-18/h2-3,10H,4-9H2,1H3/q-1.
What are the key properties of trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide?
trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide has a molecular weight of 288.10 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 63676214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).