3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide

C11H19BF3O- — CID 106746794

IUPAC3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COC1CCCC(CC)C1)[B-](F)(F)F
InChIInChI=1S/C11H19BF3O/c1-3-10-5-4-6-11(7-10)16-8-9(2)12(13,14)15/h10-11H,2-8H2,1H3/q-1
InChIKeyKEKGDYRYMIXBAH-UHFFFAOYSA-N
MW235.08 g/mol
LogP3.91
Rot. Bonds5

About 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide

3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746794) has the molecular formula C11H19BF3O- and a molecular weight of 235.08 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide
PubChem CID106746794
Molecular FormulaC11H19BF3O-
Molecular Weight235.08 g/mol
Exact Mass235.15
IUPAC Name3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COC1CCCC(CC)C1)[B-](F)(F)F
InChIInChI=1S/C11H19BF3O/c1-3-10-5-4-6-11(7-10)16-8-9(2)12(13,14)15/h10-11H,2-8H2,1H3/q-1
InChIKeyKEKGDYRYMIXBAH-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830
3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746762
(3-ethylcyclohexyl) 2-methylidenebutanoate
CID 156770755
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-amino-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 64814015
1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64571862
3-(3-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999875
2-(3-ethylcyclohexyl)oxypropane-1,3-diol
CID 139529013
3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
CID 114796060
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide (CID 106746794) is 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide is C=C(COC1CCCC(CC)C1)[B-](F)(F)F.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide?
The InChIKey is KEKGDYRYMIXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BF3O/c1-3-10-5-4-6-11(7-10)16-8-9(2)12(13,14)15/h10-11H,2-8H2,1H3/q-1.
What are the key properties of 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide?
3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide has a molecular weight of 235.08 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxyprop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).