ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide

C14H31F3N2 — CID 143343721

IUPACethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\C)C(F)(F)F.CC.CC.CC.CC
InChIInChI=1S/C6H7F3N2.4C2H6/c1-3-10-5(11-4-2)6(7,8)9;4*1-2/h3-4H,1H2,2H3;4*1-2H3/b10-5-,11-4+;;;;
InChIKeyLFIFQYNVJNNXHD-DXQRCVASSA-N
MW284.41 g/mol
LogP6.29
Rot. Bonds1

About ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide

ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide (PubChem CID 143343721) has the molecular formula C14H31F3N2 and a molecular weight of 284.41 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
PubChem CID143343721
Molecular FormulaC14H31F3N2
Molecular Weight284.41 g/mol
Exact Mass284.24
IUPAC Nameethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\C)C(F)(F)F.CC.CC.CC.CC
InChIInChI=1S/C6H7F3N2.4C2H6/c1-3-10-5(11-4-2)6(7,8)9;4*1-2/h3-4H,1H2,2H3;4*1-2H3/b10-5-,11-4+;;;;
InChIKeyLFIFQYNVJNNXHD-DXQRCVASSA-N
XLogP6.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.41
LogP ≤ 56.29
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'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
CID 143343722
ethane;N'-ethenyl-N-methylideneethanimidamide
CID 142057668
ethane;N'-ethenyl-N-ethylidenemethanimidamide
CID 142344908
ethane;N'-ethenyl-N-ethylideneethanimidamide
CID 143022947
ethane;ethene;N'-ethenyl-N-methylideneethanimidamide
CID 144058010
ethane;ethene;N'-ethenyl-N-methylideneethanimidamide
CID 144058078
ethane;N'-ethenyl-N-methylideneethanimidamide
CID 144364397
ethane;N'-ethenyl-N-ethylideneethanimidamide
CID 144720499
ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide
CID 163240101

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The IUPAC name of ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide (CID 143343721) is ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The canonical SMILES for ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide is C=C/N=C(\N=C\C)C(F)(F)F.CC.CC.CC.CC.
What is the InChIKey of ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The InChIKey is LFIFQYNVJNNXHD-DXQRCVASSA-N. The full InChI is InChI=1S/C6H7F3N2.4C2H6/c1-3-10-5(11-4-2)6(7,8)9;4*1-2/h3-4H,1H2,2H3;4*1-2H3/b10-5-,11-4+;;;;.
What are the key properties of ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide has a molecular weight of 284.41 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 143343721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).