cyclohexyl(difluoroboranyl)methanamine

C7H14BF2N — CID 141469244

IUPACcyclohexyl(difluoroboranyl)methanamine
SMILESNC(B(F)F)C1CCCCC1
InChIInChI=1S/C7H14BF2N/c9-8(10)7(11)6-4-2-1-3-5-6/h6-7H,1-5,11H2
InChIKeyMMMYGFKPQUHRSZ-UHFFFAOYSA-N
MW161.00 g/mol
LogP1.86
Rot. Bonds2

About cyclohexyl(difluoroboranyl)methanamine

cyclohexyl(difluoroboranyl)methanamine (PubChem CID 141469244) has the molecular formula C7H14BF2N and a molecular weight of 161.00 g/mol. Its IUPAC name is cyclohexyl(difluoroboranyl)methanamine.

Molecular Properties

Compound Namecyclohexyl(difluoroboranyl)methanamine
PubChem CID141469244
Molecular FormulaC7H14BF2N
Molecular Weight161.00 g/mol
Exact Mass161.12
IUPAC Namecyclohexyl(difluoroboranyl)methanamine
SMILESNC(B(F)F)C1CCCCC1
InChIInChI=1S/C7H14BF2N/c9-8(10)7(11)6-4-2-1-3-5-6/h6-7H,1-5,11H2
InChIKeyMMMYGFKPQUHRSZ-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl(cyclohexyl)methanamine
CID 65399873
cyclohexyl(silyl)methanamine
CID 174790563
3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine
CID 114981359
difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane
CID 11804807
N'-[amino(cyclohexyl)methyl]-1-cyclohexylmethanediamine
CID 118145189
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1-cyclohexylpropane-1,2-diamine
CID 20574714
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(difluoroboranyl)methanamine?
The IUPAC name of cyclohexyl(difluoroboranyl)methanamine (CID 141469244) is cyclohexyl(difluoroboranyl)methanamine.
What is the SMILES notation for cyclohexyl(difluoroboranyl)methanamine?
The canonical SMILES for cyclohexyl(difluoroboranyl)methanamine is NC(B(F)F)C1CCCCC1.
What is the InChIKey of cyclohexyl(difluoroboranyl)methanamine?
The InChIKey is MMMYGFKPQUHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF2N/c9-8(10)7(11)6-4-2-1-3-5-6/h6-7H,1-5,11H2.
What are the key properties of cyclohexyl(difluoroboranyl)methanamine?
cyclohexyl(difluoroboranyl)methanamine has a molecular weight of 161.00 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(difluoroboranyl)methanamine is sourced from PubChem (CID 141469244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).