N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide

C12H15F3N2 — CID 63173587

IUPACN'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-2-5-11(16)17-8-9-6-3-4-7-10(9)12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17)
InChIKeyHRQBJRLCFYZTNM-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.36
Rot. Bonds4

About N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide

N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide (PubChem CID 63173587) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide.

Molecular Properties

Compound NameN'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide
PubChem CID63173587
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-2-5-11(16)17-8-9-6-3-4-7-10(9)12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17)
InChIKeyHRQBJRLCFYZTNM-UHFFFAOYSA-N
XLogP3.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
N'-[(2-ethoxy-3-fluorophenyl)methyl]butanimidamide
CID 89276256
1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride
CID 142127951
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
CID 155364675
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide?
The IUPAC name of N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide (CID 63173587) is N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide.
What is the SMILES notation for N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide?
The canonical SMILES for N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide is CCC/C(N)=N\Cc1ccccc1C(F)(F)F.
What is the InChIKey of N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide?
The InChIKey is HRQBJRLCFYZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-2-5-11(16)17-8-9-6-3-4-7-10(9)12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17).
What are the key properties of N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide?
N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide has a molecular weight of 244.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide is sourced from PubChem (CID 63173587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).