N'-methyl-3-(trifluoromethyl)benzenecarboximidamide

C9H9F3N2 — CID 63181749

IUPACN'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H2,13,14)
InChIKeyOOTYACCWBZFNJH-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.04
Rot. Bonds1

About N'-methyl-3-(trifluoromethyl)benzenecarboximidamide

N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 63181749) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID63181749
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC NameN'-methyl-3-(trifluoromethyl)benzenecarboximidamide
SMILESC/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H2,13,14)
InChIKeyOOTYACCWBZFNJH-UHFFFAOYSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.04
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

3-tert-butyl-N'-methylbenzenecarboximidamide
CID 123779224
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide
CID 172946963
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
tert-butyl N-[[amino-[3-(trifluoromethyl)phenyl]methylidene]amino]carbamate
CID 57366785
N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766783
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
dihydroxy(oxo)azanium;2-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]guanidine
CID 126960444
N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766802
(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 87919626
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-methyl-3-(trifluoromethyl)benzenecarboximidamide (CID 63181749) is N'-methyl-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is C/N=C(\N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is OOTYACCWBZFNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H2,13,14).
What are the key properties of N'-methyl-3-(trifluoromethyl)benzenecarboximidamide?
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 202.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 63181749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).