N'-ethyl-3,4,5-trifluorobenzenecarboximidamide

C9H9F3N2 — CID 63181643

IUPACN'-ethyl-3,4,5-trifluorobenzenecarboximidamide
SMILESCC/N=C(\N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyHYCSWKQXDNAXGX-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.83
Rot. Bonds2

About N'-ethyl-3,4,5-trifluorobenzenecarboximidamide

N'-ethyl-3,4,5-trifluorobenzenecarboximidamide (PubChem CID 63181643) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is N'-ethyl-3,4,5-trifluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,4,5-trifluorobenzenecarboximidamide
PubChem CID63181643
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC NameN'-ethyl-3,4,5-trifluorobenzenecarboximidamide
SMILESCC/N=C(\N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H9F3N2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyHYCSWKQXDNAXGX-UHFFFAOYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3,4,5-trifluorobenzenecarboximidamide?
The IUPAC name of N'-ethyl-3,4,5-trifluorobenzenecarboximidamide (CID 63181643) is N'-ethyl-3,4,5-trifluorobenzenecarboximidamide.
What is the SMILES notation for N'-ethyl-3,4,5-trifluorobenzenecarboximidamide?
The canonical SMILES for N'-ethyl-3,4,5-trifluorobenzenecarboximidamide is CC/N=C(\N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N'-ethyl-3,4,5-trifluorobenzenecarboximidamide?
The InChIKey is HYCSWKQXDNAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3,(H2,13,14).
What are the key properties of N'-ethyl-3,4,5-trifluorobenzenecarboximidamide?
N'-ethyl-3,4,5-trifluorobenzenecarboximidamide has a molecular weight of 202.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,4,5-trifluorobenzenecarboximidamide is sourced from PubChem (CID 63181643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).