(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine

C10H15F3N2 — CID 176704957

IUPAC(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
SMILESC/C=C(N)\N=C(/C=C/CCC)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-5-6-7-8(10(11,12)13)15-9(14)4-2/h4,6-7H,3,5,14H2,1-2H3/b7-6+,9-4-,15-8+
InChIKeyQNRHFZHLFMIVBI-KNUCLHGBSA-N
MW220.24 g/mol
LogP3.17
Rot. Bonds4

About (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine

(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine (PubChem CID 176704957) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
PubChem CID176704957
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
SMILESC/C=C(N)\N=C(/C=C/CCC)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-5-6-7-8(10(11,12)13)15-9(14)4-2/h4,6-7H,3,5,14H2,1-2H3/b7-6+,9-4-,15-8+
InChIKeyQNRHFZHLFMIVBI-KNUCLHGBSA-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'}

Analyze (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine with MolForge

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Related Compounds

(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
(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)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
CID 166907347
7,7,7-Trifluoro-2-methyliminohept-3-en-4-amine
CID 173839132
(E)-1-[(E)-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-1-en-1-amine
CID 177356972
4-(Trifluoromethylimino)pent-2-en-2-amine
CID 154554823
1-[[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 147020358
(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine;ethane
CID 162721844
1-[[(Z)-hex-3-en-2-ylidene]amino]ethenamine
CID 173772969

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The IUPAC name of (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine (CID 176704957) is (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The canonical SMILES for (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine is C/C=C(N)\N=C(/C=C/CCC)C(F)(F)F.
What is the InChIKey of (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The InChIKey is QNRHFZHLFMIVBI-KNUCLHGBSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-5-6-7-8(10(11,12)13)15-9(14)4-2/h4,6-7H,3,5,14H2,1-2H3/b7-6+,9-4-,15-8+.
What are the key properties of (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
(Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-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 (Z)-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 176704957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).