ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine

C9H14F3N — CID 143548562

IUPACethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C/C(=N\C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-4-6(7(8,9)10)11-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b11-6+;
InChIKeyUOTCSJDRSMEDGR-ICSBZGNSSA-N
MW193.21 g/mol
LogP3.74
Rot. Bonds2

About ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine

ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine (PubChem CID 143548562) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
PubChem CID143548562
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C/C(=N\C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-4-6(7(8,9)10)11-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b11-6+;
InChIKeyUOTCSJDRSMEDGR-ICSBZGNSSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.74
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

(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-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548563
(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143794064
(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143838516
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
1,1,1-trifluoro-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 144377747
1,1,1-trifluoro-N-(3-methylbut-1-en-2-yl)but-3-en-2-imine
CID 144911841
7-methyl-2-(trifluoromethyl)-4H-azepine
CID 145130421
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The IUPAC name of ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine (CID 143548562) is ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine.
What is the SMILES notation for ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The canonical SMILES for ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine is C=C/C(=N\C(=C)C)C(F)(F)F.CC.
What is the InChIKey of ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
The InChIKey is UOTCSJDRSMEDGR-ICSBZGNSSA-N. The full InChI is InChI=1S/C7H8F3N.C2H6/c1-4-6(7(8,9)10)11-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b11-6+;.
What are the key properties of ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine?
ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine is sourced from PubChem (CID 143548562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).