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

C11H22BF3N- — CID 106745886

IUPACtrifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(CCCCC)C(C)C)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-5-6-7-8-16(10(2)3)9-11(4)12(13,14)15/h10H,4-9H2,1-3H3/q-1
InChIKeyDAOKDHZNFUXNQM-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.83
Rot. Bonds8

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

trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745886) has the molecular formula C11H22BF3N- and a molecular weight of 236.11 g/mol. Its IUPAC name is trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745886
Molecular FormulaC11H22BF3N-
Molecular Weight236.11 g/mol
Exact Mass236.18
IUPAC Nametrifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(CCCCC)C(C)C)[B-](F)(F)F
InChIInChI=1S/C11H22BF3N/c1-5-6-7-8-16(10(2)3)9-11(4)12(13,14)15/h10H,4-9H2,1-3H3/q-1
InChIKeyDAOKDHZNFUXNQM-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide (CID 106745886) is trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide is C=C(CN(CCCCC)C(C)C)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is DAOKDHZNFUXNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BF3N/c1-5-6-7-8-16(10(2)3)9-11(4)12(13,14)15/h10H,4-9H2,1-3H3/q-1.
What are the key properties of trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide?
trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 236.11 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).