3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide

C10H18BF3NO- — CID 106745788

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC1CCCO1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO/c1-3-15(7-9(2)11(12,13)14)8-10-5-4-6-16-10/h10H,2-8H2,1H3/q-1
InChIKeySSVAYXSTEKUNCF-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.43
Rot. Bonds6

About 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide

3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745788) has the molecular formula C10H18BF3NO- and a molecular weight of 236.07 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745788
Molecular FormulaC10H18BF3NO-
Molecular Weight236.07 g/mol
Exact Mass236.14
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN(CC)CC1CCCO1)[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO/c1-3-15(7-9(2)11(12,13)14)8-10-5-4-6-16-10/h10H,2-8H2,1H3/q-1
InChIKeySSVAYXSTEKUNCF-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.43
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 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide (CID 106745788) is 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide is C=C(CN(CC)CC1CCCO1)[B-](F)(F)F.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is SSVAYXSTEKUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO/c1-3-15(7-9(2)11(12,13)14)8-10-5-4-6-16-10/h10H,2-8H2,1H3/q-1.
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide?
3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 236.07 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).