trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide

C9H18BF3N- — CID 106745698

IUPACtrifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(CCC)C(C)C)[B-](F)(F)F
InChIInChI=1S/C9H18BF3N/c1-5-6-14(8(2)3)7-9(4)10(11,12)13/h8H,4-7H2,1-3H3/q-1
InChIKeyZBYDUZLOFQZJQU-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.05
Rot. Bonds6

About trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide

trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745698) has the molecular formula C9H18BF3N- and a molecular weight of 208.06 g/mol. Its IUPAC name is trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745698
Molecular FormulaC9H18BF3N-
Molecular Weight208.06 g/mol
Exact Mass208.15
IUPAC Nametrifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(CCC)C(C)C)[B-](F)(F)F
InChIInChI=1S/C9H18BF3N/c1-5-6-14(8(2)3)7-9(4)10(11,12)13/h8H,4-7H2,1-3H3/q-1
InChIKeyZBYDUZLOFQZJQU-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide (CID 106745698) is trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(CCC)C(C)C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is ZBYDUZLOFQZJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N/c1-5-6-14(8(2)3)7-9(4)10(11,12)13/h8H,4-7H2,1-3H3/q-1.
What are the key properties of trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 208.06 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[propan-2-yl(propyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).