N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide

C6H11F3N2 — CID 143692266

IUPACN'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide
SMILESC/N=C(\C)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(10-2)11-4-3-6(7,8)9/h3-4H2,1-2H3,(H,10,11)
InChIKeyRGDUDDBDSREWNW-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.58
Rot. Bonds2

About N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide

N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide (PubChem CID 143692266) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide
PubChem CID143692266
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC NameN'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide
SMILESC/N=C(\C)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5(10-2)11-4-3-6(7,8)9/h3-4H2,1-2H3,(H,10,11)
InChIKeyRGDUDDBDSREWNW-UHFFFAOYSA-N
XLogP1.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.58
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

2-Methyl-1,4,5,6-tetrahydropyrimidine
CID 2771917
N,N'-dipropylethanimidamide
CID 12021308
N-ethyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 13377748
2,2,2-trifluoro-N'-methyl-N-propan-2-ylethanimidamide
CID 13523150
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 18428643
5-Fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 58719934
5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 58801089
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
CID 58801098
5-fluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 58801114
2-Methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
CID 89068401
2-(2,2,3,3-Tetrafluoropropyl)-1,4,5,6-tetrahydropyrimidine
CID 89645915
2-(2,2,2-Trifluoroethyl)-1,4,5,6-tetrahydropyrimidine
CID 89646507

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide?
The IUPAC name of N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide (CID 143692266) is N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide is C/N=C(\C)NCCC(F)(F)F.
What is the InChIKey of N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide?
The InChIKey is RGDUDDBDSREWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-5(10-2)11-4-3-6(7,8)9/h3-4H2,1-2H3,(H,10,11).
What are the key properties of N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide?
N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide has a molecular weight of 168.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide is sourced from PubChem (CID 143692266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).