trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide

C7H10BF3NO- — CID 63701770

IUPACtrifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide
SMILESCN(Cc1ccoc1)C[B-](F)(F)F
InChIInChI=1S/C7H10BF3NO/c1-12(6-8(9,10)11)4-7-2-3-13-5-7/h2-3,5H,4,6H2,1H3/q-1
InChIKeyWNVRMVRZPJTTGD-UHFFFAOYSA-N
MW191.97 g/mol
LogP2.10
Rot. Bonds4

About trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide

trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide (PubChem CID 63701770) has the molecular formula C7H10BF3NO- and a molecular weight of 191.97 g/mol. Its IUPAC name is trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide
PubChem CID63701770
Molecular FormulaC7H10BF3NO-
Molecular Weight191.97 g/mol
Exact Mass192.08
IUPAC Nametrifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide
SMILESCN(Cc1ccoc1)C[B-](F)(F)F
InChIInChI=1S/C7H10BF3NO/c1-12(6-8(9,10)11)4-7-2-3-13-5-7/h2-3,5H,4,6H2,1H3/q-1
InChIKeyWNVRMVRZPJTTGD-UHFFFAOYSA-N
XLogP2.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.97
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide?
The IUPAC name of trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide (CID 63701770) is trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide is CN(Cc1ccoc1)C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide?
The InChIKey is WNVRMVRZPJTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BF3NO/c1-12(6-8(9,10)11)4-7-2-3-13-5-7/h2-3,5H,4,6H2,1H3/q-1.
What are the key properties of trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide?
trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide has a molecular weight of 191.97 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[furan-3-ylmethyl(methyl)amino]methyl]boranuide is sourced from PubChem (CID 63701770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).