N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide

C6H9F3N2 — CID 155416482

IUPACN,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide
SMILESC/N=C/N(C)/C=C/C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-5-11(2)4-3-6(7,8)9/h3-5H,1-2H3/b4-3+,10-5+
InChIKeyORLUCDRKLSRKHS-COBAKMAKSA-N
MW166.15 g/mol
LogP1.65
Rot. Bonds2

About N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide

N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide (PubChem CID 155416482) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide
PubChem CID155416482
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide
SMILESC/N=C/N(C)/C=C/C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-10-5-11(2)4-3-6(7,8)9/h3-5H,1-2H3/b4-3+,10-5+
InChIKeyORLUCDRKLSRKHS-COBAKMAKSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.65
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

3-(trifluoromethyl)-4H-pyrimidine
CID 17897402
1-Methyl-1-(1,2,2-trifluoroethyl)imidazol-1-ium
CID 90010854
1,1-Dimethyl-4-(trifluoromethyl)imidazol-1-ium
CID 164178980
1-(2,2-Difluoroethyl)-1,3-diazepine
CID 172688766
1-(2,2,2-Trifluoroethyl)-1,3-diazepine
CID 172694391
1-(trifluoromethyl)-4H-pyrimidine
CID 175890234
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
CID 24976956
1-Methyl-1-(trifluoromethyl)imidazol-1-ium
CID 176023593
N,N-dimethyl-N'-prop-1-enylmethanimidamide
CID 74378000
N,N'-dimethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 88942972
N,N-dimethyl-N'-[(Z)-prop-1-enyl]methanimidamide
CID 89952329
N,N'-dimethyl-N-prop-1-enylmethanimidamide
CID 91355715

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide?
The IUPAC name of N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide (CID 155416482) is N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide is C/N=C/N(C)/C=C/C(F)(F)F.
What is the InChIKey of N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide?
The InChIKey is ORLUCDRKLSRKHS-COBAKMAKSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-10-5-11(2)4-3-6(7,8)9/h3-5H,1-2H3/b4-3+,10-5+.
What are the key properties of N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide?
N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]methanimidamide is sourced from PubChem (CID 155416482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).