ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine

C10H16F3N — CID 144896047

IUPACethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C\C)C(F)(F)F.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-4-7(8(9,10)11)12-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b7-4-,12-5+;
InChIKeyBAIQWASILZZECY-VACVELDKSA-N
MW207.24 g/mol
LogP4.13
Rot. Bonds2

About ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine

ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine (PubChem CID 144896047) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
PubChem CID144896047
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Nameethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C\C)C(F)(F)F.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-4-7(8(9,10)11)12-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b7-4-,12-5+;
InChIKeyBAIQWASILZZECY-VACVELDKSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 54.13
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

N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293
3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 162552052
(Z)-5,5,5-trifluoro-4-(methylideneamino)pent-3-en-2-one
CID 90918047
N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
CID 172941752
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
(4E)-4-methyl-2-(trifluoromethyl)hexa-1,4-dien-3-one
CID 102121795
2-methylidene-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-3-en-1-imine
CID 166998242
N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
CID 167041258

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine?
The IUPAC name of ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine (CID 144896047) is ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine.
What is the SMILES notation for ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine?
The canonical SMILES for ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine is C=C(C)/C=N/C(=C\C)C(F)(F)F.CC.
What is the InChIKey of ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine?
The InChIKey is BAIQWASILZZECY-VACVELDKSA-N. The full InChI is InChI=1S/C8H10F3N.C2H6/c1-4-7(8(9,10)11)12-5-6(2)3;1-2/h4-5H,2H2,1,3H3;1-2H3/b7-4-,12-5+;.
What are the key properties of ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine?
ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine has a molecular weight of 207.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 144896047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).