(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide

C12H14BF4O- — CID 63705372

IUPAC(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
SMILESFc1ccc(OC2CCCCC2)c([B-](F)(F)F)c1
InChIInChI=1S/C12H14BF4O/c14-9-6-7-12(11(8-9)13(15,16)17)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2/q-1
InChIKeyBZGALLKMSZEAGP-UHFFFAOYSA-N
MW261.05 g/mol
LogP3.59
Rot. Bonds3

About (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide

(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide (PubChem CID 63705372) has the molecular formula C12H14BF4O- and a molecular weight of 261.05 g/mol. Its IUPAC name is (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
PubChem CID63705372
Molecular FormulaC12H14BF4O-
Molecular Weight261.05 g/mol
Exact Mass261.11
IUPAC Name(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
SMILESFc1ccc(OC2CCCCC2)c([B-](F)(F)F)c1
InChIInChI=1S/C12H14BF4O/c14-9-6-7-12(11(8-9)13(15,16)17)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2/q-1
InChIKeyBZGALLKMSZEAGP-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.05
LogP ≤ 53.59
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

trifluoro-[5-fluoro-2-(4-methylcyclohexyl)oxyphenyl]boranuide
CID 64747952
[2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
CID 64738793
potassium [2-(3,4-dimethylcyclohexyl)oxy-5-fluorophenyl]-trifluoroboranuide
CID 64738792
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
2-azido-1-cyclohexyloxy-4-fluorobenzene
CID 151647198
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
potassium (4-cycloheptyloxy-2-fluorophenyl)-trifluoroboranuide
CID 82928963
1,2-dicyclohexyloxybenzene
CID 67331328
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
4-cyclohexyloxy-3-fluoroaniline
CID 19627258

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide?
The IUPAC name of (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide (CID 63705372) is (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide.
What is the SMILES notation for (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide?
The canonical SMILES for (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide is Fc1ccc(OC2CCCCC2)c([B-](F)(F)F)c1.
What is the InChIKey of (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide?
The InChIKey is BZGALLKMSZEAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BF4O/c14-9-6-7-12(11(8-9)13(15,16)17)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2/q-1.
What are the key properties of (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide?
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide has a molecular weight of 261.05 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide is sourced from PubChem (CID 63705372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).