3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide

C13H12F4N2 — CID 170104415

IUPAC3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/C)c1ccc(C)c(F)c1)C(F)(F)F
InChIInChI=1S/C13H12F4N2/c1-4-11(13(15,16)17)19-12(18-3)9-6-5-8(2)10(14)7-9/h4-7H,1H2,2-3H3/b18-12-,19-11+
InChIKeyOGBCTMOYCIYKJH-LQVVDUSASA-N
MW272.25 g/mol
LogP3.70
Rot. Bonds2

About 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide

3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide (PubChem CID 170104415) has the molecular formula C13H12F4N2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide
PubChem CID170104415
Molecular FormulaC13H12F4N2
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide
SMILESC=C/C(=N\C(=N/C)c1ccc(C)c(F)c1)C(F)(F)F
InChIInChI=1S/C13H12F4N2/c1-4-11(13(15,16)17)19-12(18-3)9-6-5-8(2)10(14)7-9/h4-7H,1H2,2-3H3/b18-12-,19-11+
InChIKeyOGBCTMOYCIYKJH-LQVVDUSASA-N
XLogP3.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-2-(3-fluoro-4-methylphenyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 176970067
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
3-fluoro-4-methyl-N-oxobenzamide
CID 126760596
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
methyl N-[1-(3-fluoro-4-methylphenyl)buta-1,3-dienyl]methanimidate
CID 91060927
N'-[6-ethylidene-5,7-dimethyl-2-methylidene-4-(trifluoromethyl)deca-3,7,9-trienoxy]-3-fluoro-4-methyl-N-methylidenebenzenecarboximidamide
CID 90910909
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
N-amino-N'-tert-butyl-3-fluoro-4-methylbenzenecarboximidamide
CID 61360497

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide (CID 170104415) is 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide is C=C/C(=N\C(=N/C)c1ccc(C)c(F)c1)C(F)(F)F.
What is the InChIKey of 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide?
The InChIKey is OGBCTMOYCIYKJH-LQVVDUSASA-N. The full InChI is InChI=1S/C13H12F4N2/c1-4-11(13(15,16)17)19-12(18-3)9-6-5-8(2)10(14)7-9/h4-7H,1H2,2-3H3/b18-12-,19-11+.
What are the key properties of 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide?
3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide has a molecular weight of 272.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide is sourced from PubChem (CID 170104415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).