(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine

C10H16F3N3 — CID 163510304

IUPAC(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC(F)(F)F)C(CC)NN
InChIInChI=1S/C10H16F3N3/c1-3-5-8(9(4-2)16-14)6-15-7-10(11,12)13/h3,5-6,9,16H,1,4,7,14H2,2H3/b8-5+,15-6+
InChIKeyDCDLGRBQOZYHMH-NVWKQHGVSA-N
MW235.25 g/mol
LogP1.97
Rot. Bonds6

About (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine

(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine (PubChem CID 163510304) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine
PubChem CID163510304
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC(F)(F)F)C(CC)NN
InChIInChI=1S/C10H16F3N3/c1-3-5-8(9(4-2)16-14)6-15-7-10(11,12)13/h3,5-6,9,16H,1,4,7,14H2,2H3/b8-5+,15-6+
InChIKeyDCDLGRBQOZYHMH-NVWKQHGVSA-N
XLogP1.97
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine
CID 163372878
(3E)-5-methyl-4-(trifluoromethyl)hepta-1,3-diene
CID 138486545
(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol
CID 169172640
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine
CID 166850508
(E)-3-amino-2-(2,2,2-trifluoroethyliminomethyl)prop-2-enal
CID 168930680
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
ethyl (2Z)-2-(4,4,4-trifluorobutan-2-yloxy)penta-2,4-dienoate
CID 130282661
2-methyl-2-phenyl-N-[(4E)-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]butanamide
CID 167214327
(3E)-5-ethylocta-1,3,7-trien-4-amine
CID 134331827

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine (CID 163510304) is (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine is C=C/C=C(\C=N\CC(F)(F)F)C(CC)NN.
What is the InChIKey of (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine?
The InChIKey is DCDLGRBQOZYHMH-NVWKQHGVSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-5-8(9(4-2)16-14)6-15-7-10(11,12)13/h3,5-6,9,16H,1,4,7,14H2,2H3/b8-5+,15-6+.
What are the key properties of (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine?
(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine has a molecular weight of 235.25 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 163510304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).