N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine

C11H12F3N — CID 162538544

IUPACN-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h2-6,15H,1,7-8H2
InChIKeyMMSCMYPJIIPYSG-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.89
Rot. Bonds4

About N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine

N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 162538544) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID162538544
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h2-6,15H,1,7-8H2
InChIKeyMMSCMYPJIIPYSG-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)-3-chloropropan-2-one
CID 91104942
N-benzyl-2-trimethylsilylprop-2-en-1-amine
CID 12982619
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
1-(benzylamino)-4,4-dimethylpentan-2-one
CID 165464983
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 60702124
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
1-phenyl-5-(trifluoromethyl)hex-5-en-3-one
CID 162540058
1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
CID 101388257
4-amino-1-(benzylamino)butan-2-one
CID 83967308
5-(benzylamino)-4-oxopentanoic acid
CID 141297072
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine (CID 162538544) is N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine is C=C(CNCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is MMSCMYPJIIPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-9(11(12,13)14)7-15-8-10-5-3-2-4-6-10/h2-6,15H,1,7-8H2.
What are the key properties of N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine?
N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 162538544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).