N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide

C8H13F3N2 — CID 146393000

IUPACN'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESCCN(C)/C(=N\C1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-13(2)7(8(9,10)11)12-6-4-5-6/h6H,3-5H2,1-2H3/b12-7-
InChIKeyNFJLHFFCDYFGSS-GHXNOFRVSA-N
MW194.20 g/mol
LogP2.06
Rot. Bonds2

About N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide

N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide (PubChem CID 146393000) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide
PubChem CID146393000
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESCCN(C)/C(=N\C1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-13(2)7(8(9,10)11)12-6-4-5-6/h6H,3-5H2,1-2H3/b12-7-
InChIKeyNFJLHFFCDYFGSS-GHXNOFRVSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.06
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'}

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Related Compounds

N,N-diethyl-N'-(1,1,1,3,3,3-hexafluoropropan-2-yl)ethanimidamide
CID 85701471
2,2,2-trifluoro-N,N'-dimethyl-N-propan-2-ylethanimidamide
CID 138701601
N-(1-cyanoethyl)-2,2,2-trifluoro-N,N'-dimethylethanimidamide
CID 139563847
1,5-Dimethyl-2-(trifluoromethyl)-4,5-dihydroimidazole
CID 139564029
2,2,2-trifluoro-N-methyl-N,N'-di(propan-2-yl)ethanimidamide
CID 160072116
(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium
CID 168742248
manganese;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
CID 168742251
CID 168742269
CID 168742269
cobalt;(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide
CID 168742286
(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;zinc
CID 168742292
(C-methyl-N-propan-2-ylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;nickel
CID 168742368
CID 168742372
CID 168742372

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide?
The IUPAC name of N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide (CID 146393000) is N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide.
What is the SMILES notation for N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide?
The canonical SMILES for N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide is CCN(C)/C(=N\C1CC1)C(F)(F)F.
What is the InChIKey of N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide?
The InChIKey is NFJLHFFCDYFGSS-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-3-13(2)7(8(9,10)11)12-6-4-5-6/h6H,3-5H2,1-2H3/b12-7-.
What are the key properties of N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide?
N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide has a molecular weight of 194.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-ethyl-2,2,2-trifluoro-N-methylethanimidamide is sourced from PubChem (CID 146393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).