N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane

C13H16BF6N — CID 134906222

IUPACN-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane
SMILESC=C(CB(C(F)(F)F)C(F)(F)F)c1ccccc1.CNC
InChIInChI=1S/C11H9BF6.C2H7N/c1-8(9-5-3-2-4-6-9)7-12(10(13,14)15)11(16,17)18;1-3-2/h2-6H,1,7H2;3H,1-2H3
InChIKeyFMHCARSGSGGUTG-UHFFFAOYSA-N
MW311.08 g/mol
LogP4.23
Rot. Bonds3

About N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane

N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane (PubChem CID 134906222) has the molecular formula C13H16BF6N and a molecular weight of 311.08 g/mol. Its IUPAC name is N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane.

Molecular Properties

Compound NameN-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane
PubChem CID134906222
Molecular FormulaC13H16BF6N
Molecular Weight311.08 g/mol
Exact Mass311.13
IUPAC NameN-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane
SMILESC=C(CB(C(F)(F)F)C(F)(F)F)c1ccccc1.CNC
InChIInChI=1S/C11H9BF6.C2H7N/c1-8(9-5-3-2-4-6-9)7-12(10(13,14)15)11(16,17)18;1-3-2/h2-6H,1,7H2;3H,1-2H3
InChIKeyFMHCARSGSGGUTG-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.08
LogP ≤ 54.23
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

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3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
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pent-1-en-2-ylbenzene
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2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
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CID 81332865
2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine
CID 90317419
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
2-phenylprop-2-en-1-amine;propane
CID 143101756
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CID 115328410

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane?
The IUPAC name of N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane (CID 134906222) is N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane.
What is the SMILES notation for N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane?
The canonical SMILES for N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane is C=C(CB(C(F)(F)F)C(F)(F)F)c1ccccc1.CNC.
What is the InChIKey of N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane?
The InChIKey is FMHCARSGSGGUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BF6.C2H7N/c1-8(9-5-3-2-4-6-9)7-12(10(13,14)15)11(16,17)18;1-3-2/h2-6H,1,7H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane?
N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane has a molecular weight of 311.08 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;2-phenylprop-2-enyl-bis(trifluoromethyl)borane is sourced from PubChem (CID 134906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).