N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

C11H13F3N2 — CID 154723292

IUPACN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16)
InChIKeyVCFJEXLKIYMUOQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.82
Rot. Bonds3

About N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 154723292) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID154723292
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16)
InChIKeyVCFJEXLKIYMUOQ-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.82
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-chloro-4-fluoro-N'-propylbenzenecarboximidamide
CID 63181342
4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
CID 156800040
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
CID 59533943
4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
CID 172751333
3,5-dichloro-N'-propylbenzenecarboximidamide
CID 107918187
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 3311
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154715801
1-[(E)-1,2-dibromohept-1-enyl]-4-(trifluoromethyl)benzene
CID 101198648
S-butyl 4-(trifluoromethyl)benzenecarbothioate
CID 122382217
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
CID 155275361

Frequently Asked Questions

What is the IUPAC name of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (CID 154723292) is N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is CCC/N=C(\N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VCFJEXLKIYMUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16).
What are the key properties of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 230.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 154723292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).