N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide

C10H10F3N3 — CID 172946963

IUPACN'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide
SMILESC=CN/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3/c1-2-15-16-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,15H,1H2,(H2,14,16)
InChIKeyOTTWPJFZZWHXAP-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.06
Rot. Bonds3

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

N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 172946963) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID172946963
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC NameN'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide
SMILESC=CN/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3/c1-2-15-16-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,15H,1H2,(H2,14,16)
InChIKeyOTTWPJFZZWHXAP-UHFFFAOYSA-N
XLogP2.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
tert-butyl N-[[amino-[3-(trifluoromethyl)phenyl]methylidene]amino]carbamate
CID 57366785
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
pent-1-ene;3-(trifluoromethyl)benzamide
CID 174337968
2-[3-(trifluoromethyl)phenyl]prop-2-enal
CID 117266827
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177472811
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
[(Z)-4-(1-aminoethylideneamino)-4-azaniumylidene-1-[3-(trifluoromethyl)phenyl]but-2-enylidene]azanide
CID 163756438

Frequently Asked Questions

What is the IUPAC name of N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide (CID 172946963) is N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide is C=CN/N=C(\N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is OTTWPJFZZWHXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-2-15-16-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,15H,1H2,(H2,14,16).
What are the key properties of N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide?
N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 229.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 172946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).