3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide

C10H17BF3O- — CID 106746762

IUPAC3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COCC1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C10H17BF3O/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h10H,1-8H2/q-1
InChIKeyORBFVUCVCYOSHY-UHFFFAOYSA-N
MW221.05 g/mol
LogP3.53
Rot. Bonds5

About 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide

3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746762) has the molecular formula C10H17BF3O- and a molecular weight of 221.05 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746762
Molecular FormulaC10H17BF3O-
Molecular Weight221.05 g/mol
Exact Mass221.13
IUPAC Name3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COCC1CCCCC1)[B-](F)(F)F
InChIInChI=1S/C10H17BF3O/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h10H,1-8H2/q-1
InChIKeyORBFVUCVCYOSHY-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 53.53
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 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide (CID 106746762) is 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide is C=C(COCC1CCCCC1)[B-](F)(F)F.
What is the InChIKey of 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is ORBFVUCVCYOSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BF3O/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h10H,1-8H2/q-1.
What are the key properties of 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide?
3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 221.05 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).