ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine

C12H20F3N — CID 176967353

IUPACethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(C)=C(\CCC)C(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-4-6-9(10(11,12)13)8(3)14-7-5-2;1-2/h5,7H,2,4,6H2,1,3H3;1-2H3/b9-8+,14-7+;
InChIKeyBZUCCTPMGVAAEM-DKLYTDOWSA-N
MW235.29 g/mol
LogP4.91
Rot. Bonds4

About ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine

ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine (PubChem CID 176967353) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
PubChem CID176967353
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Nameethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/C(C)=C(\CCC)C(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-4-6-9(10(11,12)13)8(3)14-7-5-2;1-2/h5,7H,2,4,6H2,1,3H3;1-2H3/b9-8+,14-7+;
InChIKeyBZUCCTPMGVAAEM-DKLYTDOWSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.91
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)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 90882963
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
2-fluoro-N-[(Z)-3-methylhex-2-en-2-yl]prop-2-en-1-imine
CID 131982774
(Z)-N-[(2Z,4E)-4-ethyl-9-(trifluoromethyl)undeca-2,4,8-trien-3-yl]but-2-en-1-imine
CID 135278113
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The IUPAC name of ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine (CID 176967353) is ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine.
What is the SMILES notation for ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The canonical SMILES for ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine is C=C/C=N/C(C)=C(\CCC)C(F)(F)F.CC.
What is the InChIKey of ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
The InChIKey is BZUCCTPMGVAAEM-DKLYTDOWSA-N. The full InChI is InChI=1S/C10H14F3N.C2H6/c1-4-6-9(10(11,12)13)8(3)14-7-5-2;1-2/h5,7H,2,4,6H2,1,3H3;1-2H3/b9-8+,14-7+;.
What are the key properties of ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine?
ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine has a molecular weight of 235.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-3-(trifluoromethyl)hex-2-en-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 176967353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).