1-butoxybutane;cyclohexane;trifluoroborane

C14H30BF3O — CID 174963803

IUPAC1-butoxybutane;cyclohexane;trifluoroborane
SMILESC1CCCCC1.CCCCOCCCC.FB(F)F
InChIInChI=1S/C8H18O.C6H12.BF3/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;2-1(3)4/h3-8H2,1-2H3;1-6H2;
InChIKeyFLGLDLNCQXADCC-UHFFFAOYSA-N
MW282.20 g/mol
LogP5.82
Rot. Bonds6

About 1-butoxybutane;cyclohexane;trifluoroborane

1-butoxybutane;cyclohexane;trifluoroborane (PubChem CID 174963803) has the molecular formula C14H30BF3O and a molecular weight of 282.20 g/mol. Its IUPAC name is 1-butoxybutane;cyclohexane;trifluoroborane.

Molecular Properties

Compound Name1-butoxybutane;cyclohexane;trifluoroborane
PubChem CID174963803
Molecular FormulaC14H30BF3O
Molecular Weight282.20 g/mol
Exact Mass282.23
IUPAC Name1-butoxybutane;cyclohexane;trifluoroborane
SMILESC1CCCCC1.CCCCOCCCC.FB(F)F
InChIInChI=1S/C8H18O.C6H12.BF3/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;2-1(3)4/h3-8H2,1-2H3;1-6H2;
InChIKeyFLGLDLNCQXADCC-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.20
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butoxybutane;cyclohexane;trifluoroborane with MolForge

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

Launch Full Analysis

Related Compounds

1-butoxybutane;oxane
CID 22595543
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
1-butylperoxybutane;cyclooctane
CID 140991302
1-butoxypentane;niobium
CID 175363169
azane;1-propoxybutane
CID 87292575
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxydotriacontane
CID 91693232
methane;1-propoxybutane
CID 162202436

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;cyclohexane;trifluoroborane?
The IUPAC name of 1-butoxybutane;cyclohexane;trifluoroborane (CID 174963803) is 1-butoxybutane;cyclohexane;trifluoroborane.
What is the SMILES notation for 1-butoxybutane;cyclohexane;trifluoroborane?
The canonical SMILES for 1-butoxybutane;cyclohexane;trifluoroborane is C1CCCCC1.CCCCOCCCC.FB(F)F.
What is the InChIKey of 1-butoxybutane;cyclohexane;trifluoroborane?
The InChIKey is FLGLDLNCQXADCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H12.BF3/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;2-1(3)4/h3-8H2,1-2H3;1-6H2;.
What are the key properties of 1-butoxybutane;cyclohexane;trifluoroborane?
1-butoxybutane;cyclohexane;trifluoroborane has a molecular weight of 282.20 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;cyclohexane;trifluoroborane is sourced from PubChem (CID 174963803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).