N-benzyl-1,1,1-trifluoropropan-2-imine

C10H10F3N — CID 2760746

IUPACN-benzyl-1,1,1-trifluoropropan-2-imine
SMILESC/C(=N\Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b14-8+
InChIKeyMYVITOFBNPFGNU-RIYZIHGNSA-N
MW201.19 g/mol
LogP3.21
Rot. Bonds2

About N-benzyl-1,1,1-trifluoropropan-2-imine

N-benzyl-1,1,1-trifluoropropan-2-imine (PubChem CID 2760746) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoropropan-2-imine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoropropan-2-imine
PubChem CID2760746
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-benzyl-1,1,1-trifluoropropan-2-imine
SMILESC/C(=N\Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b14-8+
InChIKeyMYVITOFBNPFGNU-RIYZIHGNSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoropropan-2-imine?
The IUPAC name of N-benzyl-1,1,1-trifluoropropan-2-imine (CID 2760746) is N-benzyl-1,1,1-trifluoropropan-2-imine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoropropan-2-imine?
The canonical SMILES for N-benzyl-1,1,1-trifluoropropan-2-imine is C/C(=N\Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoropropan-2-imine?
The InChIKey is MYVITOFBNPFGNU-RIYZIHGNSA-N. The full InChI is InChI=1S/C10H10F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b14-8+.
What are the key properties of N-benzyl-1,1,1-trifluoropropan-2-imine?
N-benzyl-1,1,1-trifluoropropan-2-imine has a molecular weight of 201.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoropropan-2-imine is sourced from PubChem (CID 2760746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).