trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide

C10H17BF3O- — CID 106746610

IUPACtrifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide
SMILESC=C(COC1CCC(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H17BF3O/c1-8-3-5-10(6-4-8)15-7-9(2)11(12,13)14/h8,10H,2-7H2,1H3/q-1
InChIKeyKQXSVZWUIPPCTK-UHFFFAOYSA-N
MW221.05 g/mol
LogP3.52
Rot. Bonds4

About trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide

trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide (PubChem CID 106746610) has the molecular formula C10H17BF3O- and a molecular weight of 221.05 g/mol. Its IUPAC name is trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide
PubChem CID106746610
Molecular FormulaC10H17BF3O-
Molecular Weight221.05 g/mol
Exact Mass221.13
IUPAC Nametrifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide
SMILESC=C(COC1CCC(C)CC1)[B-](F)(F)F
InChIInChI=1S/C10H17BF3O/c1-8-3-5-10(6-4-8)15-7-9(2)11(12,13)14/h8,10H,2-7H2,1H3/q-1
InChIKeyKQXSVZWUIPPCTK-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide (CID 106746610) is trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide is C=C(COC1CCC(C)CC1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide?
The InChIKey is KQXSVZWUIPPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BF3O/c1-8-3-5-10(6-4-8)15-7-9(2)11(12,13)14/h8,10H,2-7H2,1H3/q-1.
What are the key properties of trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide?
trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide has a molecular weight of 221.05 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-methylcyclohexyl)oxyprop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).