(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine

C10H15F3N2 — CID 171557948

IUPAC(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine
SMILESCCC/C=C(/C=N/C=C(\C)N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-4-5-9(10(11,12)13)7-15-6-8(2)14/h5-7H,3-4,14H2,1-2H3/b8-6+,9-5-,15-7+
InChIKeyXSOXUACZDIGBKB-HRPSPVPNSA-N
MW220.24 g/mol
LogP3.17
Rot. Bonds4

About (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine

(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine (PubChem CID 171557948) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine
PubChem CID171557948
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine
SMILESCCC/C=C(/C=N/C=C(\C)N)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-4-5-9(10(11,12)13)7-15-6-8(2)14/h5-7H,3-4,14H2,1-2H3/b8-6+,9-5-,15-7+
InChIKeyXSOXUACZDIGBKB-HRPSPVPNSA-N
XLogP3.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
[5-Methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
CID 90949467
(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine
CID 118019248
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
CID 138552377
(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine
CID 155354012
N'-[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]ethanimidamide
CID 155728806
4-Methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
CID 162611634
(2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
CID 163379957
4-(2,2-Difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine
CID 163572135

Frequently Asked Questions

What is the IUPAC name of (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine?
The IUPAC name of (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine (CID 171557948) is (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine?
The canonical SMILES for (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine is CCC/C=C(/C=N/C=C(\C)N)C(F)(F)F.
What is the InChIKey of (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine?
The InChIKey is XSOXUACZDIGBKB-HRPSPVPNSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-4-5-9(10(11,12)13)7-15-6-8(2)14/h5-7H,3-4,14H2,1-2H3/b8-6+,9-5-,15-7+.
What are the key properties of (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine?
(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine has a molecular weight of 220.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 171557948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).