N'-ethyl-4,4,4-trifluorobutanimidamide

C6H11F3N2 — CID 79964264

IUPACN'-ethyl-4,4,4-trifluorobutanimidamide
SMILESCC/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3,(H2,10,11)
InChIKeyOEWIFOKDUXYBEW-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.71
Rot. Bonds3

About N'-ethyl-4,4,4-trifluorobutanimidamide

N'-ethyl-4,4,4-trifluorobutanimidamide (PubChem CID 79964264) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N'-ethyl-4,4,4-trifluorobutanimidamide.

Molecular Properties

Compound NameN'-ethyl-4,4,4-trifluorobutanimidamide
PubChem CID79964264
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC NameN'-ethyl-4,4,4-trifluorobutanimidamide
SMILESCC/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3,(H2,10,11)
InChIKeyOEWIFOKDUXYBEW-UHFFFAOYSA-N
XLogP1.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.71
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

1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
N'-ethyl-4-methoxybutanimidamide
CID 65093895
2-chloro-N'-ethylethanimidamide;hydrochloride
CID 14317600
10,10,10-trifluoro-N'-hydroxydecanimidamide
CID 172857318
O-(N'-ethylcarbamimidoyl) carbamothioate
CID 21150656
4,4,4-trifluorobutanimidamide;hydrochloride
CID 71758218
(E)-6,6,6-trifluoro-3-methylhex-2-ene
CID 153363460
(E)-3,6,6,6-tetrafluorohex-2-ene
CID 160731192
1,1,1-trifluorooctan-4-one
CID 79404361
5-ethyl-1,1,1-trifluoro-5-hydroxyheptan-4-one
CID 103447033
1,1,1-trifluoro-4-methylideneoctane
CID 146018304
5-(aminomethyl)-1,1,1-trifluoro-5-methylheptan-4-one
CID 116611006

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4,4,4-trifluorobutanimidamide?
The IUPAC name of N'-ethyl-4,4,4-trifluorobutanimidamide (CID 79964264) is N'-ethyl-4,4,4-trifluorobutanimidamide.
What is the SMILES notation for N'-ethyl-4,4,4-trifluorobutanimidamide?
The canonical SMILES for N'-ethyl-4,4,4-trifluorobutanimidamide is CC/N=C(\N)CCC(F)(F)F.
What is the InChIKey of N'-ethyl-4,4,4-trifluorobutanimidamide?
The InChIKey is OEWIFOKDUXYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3,(H2,10,11).
What are the key properties of N'-ethyl-4,4,4-trifluorobutanimidamide?
N'-ethyl-4,4,4-trifluorobutanimidamide has a molecular weight of 168.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4,4,4-trifluorobutanimidamide is sourced from PubChem (CID 79964264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).