(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane

C11H18F3N — CID 142374868

IUPAC(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
SMILESC/C=C\C(=N\C(C)=C/C)C(F)(F)F.CC
InChIInChI=1S/C9H12F3N.C2H6/c1-4-6-8(9(10,11)12)13-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-,13-8-;
InChIKeyMQQGBVQDSDCHTI-MLNZJGKDSA-N
MW221.27 g/mol
LogP4.52
Rot. Bonds2

About (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane

(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane (PubChem CID 142374868) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
PubChem CID142374868
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
SMILESC/C=C\C(=N\C(C)=C/C)C(F)(F)F.CC
InChIInChI=1S/C9H12F3N.C2H6/c1-4-6-8(9(10,11)12)13-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-,13-8-;
InChIKeyMQQGBVQDSDCHTI-MLNZJGKDSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethyl-2-trifluoromethyl-4H-azepine
CID 14610094
3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-ethynyl-1,1,1-trifluorohex-3-en-2-imine
CID 134566736
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane?
The IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane (CID 142374868) is (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane.
What is the SMILES notation for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane?
The canonical SMILES for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane is C/C=C\C(=N\C(C)=C/C)C(F)(F)F.CC.
What is the InChIKey of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane?
The InChIKey is MQQGBVQDSDCHTI-MLNZJGKDSA-N. The full InChI is InChI=1S/C9H12F3N.C2H6/c1-4-6-8(9(10,11)12)13-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-,13-8-;.
What are the key properties of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane?
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane has a molecular weight of 221.27 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane is sourced from PubChem (CID 142374868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).