N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide

C9H13F3N2 — CID 147395961

IUPACN'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6H,4H2,1-3H3/b7-5+,14-8-
InChIKeyDNUFEEXKEBOKQR-USFPABIYSA-N
MW206.21 g/mol
LogP3.21
Rot. Bonds2

About N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide

N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide (PubChem CID 147395961) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide
PubChem CID147395961
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC NameN'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6H,4H2,1-3H3/b7-5+,14-8-
InChIKeyDNUFEEXKEBOKQR-USFPABIYSA-N
XLogP3.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.21
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

2,2,2-trifluoro-N'-methyl-N-(3-methyl-2-methylidenebutylidene)ethanimidamide
CID 91165496
2,2-difluoro-N'-[(1E)-2-methylbuta-1,3-dienyl]-N-methylidenepropanimidamide
CID 135170373
ethane;2,2,2-trifluoro-N-methylidene-N'-[(E)-4-methylpent-1-enyl]ethanimidamide
CID 144060397
N'-[(E,3S)-3,4-dimethylpent-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide;ethane
CID 144060424
2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 145136555
2,2,2-trifluoro-N-methylidene-N'-[(E)-4-methylpent-1-enyl]ethanimidamide
CID 144060398
N'-[(E,3S)-3,4-dimethylpent-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide
CID 144060425
N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide
CID 162576759
N'-[(E)-2,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
CID 135210358

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide?
The IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide (CID 147395961) is N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide?
The canonical SMILES for N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide is C=N/C(=N\C=C(/C)C(C)C)C(F)(F)F.
What is the InChIKey of N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide?
The InChIKey is DNUFEEXKEBOKQR-USFPABIYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6H,4H2,1-3H3/b7-5+,14-8-.
What are the key properties of N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide?
N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide has a molecular weight of 206.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,3-dimethylbut-1-enyl]-2,2,2-trifluoro-N-methylideneethanimidamide is sourced from PubChem (CID 147395961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).