(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine

C12H19F3N2 — CID 155354012

IUPAC(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine
SMILESC/C=C(\C=N\C(=C\CCC)C(F)(F)F)[C@@H](C)N
InChIInChI=1S/C12H19F3N2/c1-4-6-7-11(12(13,14)15)17-8-10(5-2)9(3)16/h5,7-9H,4,6,16H2,1-3H3/b10-5+,11-7+,17-8+/t9-/m1/s1
InChIKeyGGZHKKBLLIXUBD-FUGJDYMGSA-N
MW248.29 g/mol
LogP3.60
Rot. Bonds5

About (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine

(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine (PubChem CID 155354012) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine.

Molecular Properties

Compound Name(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine
PubChem CID155354012
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine
SMILESC/C=C(\C=N\C(=C\CCC)C(F)(F)F)[C@@H](C)N
InChIInChI=1S/C12H19F3N2/c1-4-6-7-11(12(13,14)15)17-8-10(5-2)9(3)16/h5,7-9H,4,6,16H2,1-3H3/b10-5+,11-7+,17-8+/t9-/m1/s1
InChIKeyGGZHKKBLLIXUBD-FUGJDYMGSA-N
XLogP3.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine with MolForge

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Related Compounds

[3-Methyl-2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
CID 68262335
[5-Methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
CID 90949467
(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
CID 137410374
(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
3-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]but-3-en-2-amine
CID 154659524
N'-[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]ethanimidamide
CID 155728806
N-[[2-(1,1-difluoroethyl)-4H-azepin-6-yl]methyl]cyclopropanamine
CID 163895124
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
N-propan-2-yl-1-[6-(trifluoromethyl)-1,4-dihydropyridin-3-yl]methanimine
CID 160042094
(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine
CID 162562865
(Z)-2-[(E)-2-(buta-1,3-dien-2-yliminomethyl)-3,3,3-trifluoroprop-1-enyl]but-2-ene-1,3-diamine
CID 168203154
(E)-1-[[(Z)-2-(trifluoromethyl)hex-2-enylidene]amino]prop-1-en-2-amine
CID 171557948

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine?
The IUPAC name of (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine (CID 155354012) is (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine.
What is the SMILES notation for (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine?
The canonical SMILES for (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine is C/C=C(\C=N\C(=C\CCC)C(F)(F)F)[C@@H](C)N.
What is the InChIKey of (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine?
The InChIKey is GGZHKKBLLIXUBD-FUGJDYMGSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-4-6-7-11(12(13,14)15)17-8-10(5-2)9(3)16/h5,7-9H,4,6,16H2,1-3H3/b10-5+,11-7+,17-8+/t9-/m1/s1.
What are the key properties of (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine?
(Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine has a molecular weight of 248.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-3-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]pent-3-en-2-amine is sourced from PubChem (CID 155354012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).