trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide

C11H14BF3NO- — CID 53488026

IUPACtrifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1CN1CCOCC1
InChIInChI=1S/C11H14BF3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2/q-1
InChIKeyWLPVQRSJXXRNJA-UHFFFAOYSA-N
MW244.04 g/mol
LogP1.57
Rot. Bonds3

About trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide

trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide (PubChem CID 53488026) has the molecular formula C11H14BF3NO- and a molecular weight of 244.04 g/mol. Its IUPAC name is trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
PubChem CID53488026
Molecular FormulaC11H14BF3NO-
Molecular Weight244.04 g/mol
Exact Mass244.11
IUPAC Nametrifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
SMILESF[B-](F)(F)c1ccccc1CN1CCOCC1
InChIInChI=1S/C11H14BF3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2/q-1
InChIKeyWLPVQRSJXXRNJA-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
CID 131887032
CID 131887032
4-[(2-fluorosulfonyloxyphenyl)methyl]morpholine
CID 174848163
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
4-[(2-azidophenyl)methyl]morpholine
CID 151936808

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide?
The IUPAC name of trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide (CID 53488026) is trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide?
The canonical SMILES for trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide is F[B-](F)(F)c1ccccc1CN1CCOCC1.
What is the InChIKey of trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide?
The InChIKey is WLPVQRSJXXRNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2/q-1.
What are the key properties of trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide?
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide has a molecular weight of 244.04 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide is sourced from PubChem (CID 53488026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).