[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene

C23H33F5N2O — CID 142903426

IUPAC[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene
SMILESC=C(/C=C\C(C)=C/C)OC.CCc1ccc(/C(=C/CC(F)C(F)(F)F)NN)cc1.CF
InChIInChI=1S/C13H16F4N2.C9H14O.CH3F/c1-2-9-3-5-10(6-4-9)11(19-18)7-8-12(14)13(15,16)17;1-5-8(2)6-7-9(3)10-4;1-2/h3-7,12,19H,2,8,18H2,1H3;5-7H,3H2,1-2,4H3;1H3/b11-7-;7-6-,8-5-;
InChIKeyRGHWUDXUNXGJIM-DQAGHXBOSA-N
MW448.52 g/mol
LogP6.60
Rot. Bonds8

About [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene

[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene (PubChem CID 142903426) has the molecular formula C23H33F5N2O and a molecular weight of 448.52 g/mol. Its IUPAC name is [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene
PubChem CID142903426
Molecular FormulaC23H33F5N2O
Molecular Weight448.52 g/mol
Exact Mass448.25
IUPAC Name[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene
SMILESC=C(/C=C\C(C)=C/C)OC.CCc1ccc(/C(=C/CC(F)C(F)(F)F)NN)cc1.CF
InChIInChI=1S/C13H16F4N2.C9H14O.CH3F/c1-2-9-3-5-10(6-4-9)11(19-18)7-8-12(14)13(15,16)17;1-5-8(2)6-7-9(3)10-4;1-2/h3-7,12,19H,2,8,18H2,1H3;5-7H,3H2,1-2,4H3;1H3/b11-7-;7-6-,8-5-;
InChIKeyRGHWUDXUNXGJIM-DQAGHXBOSA-N
XLogP6.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene;methane
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ethyl (2R)-4-(4-ethylphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoate
CID 102589699
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2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
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1-[4-(4-ethylphenyl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 20503065
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene?
The IUPAC name of [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene (CID 142903426) is [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene.
What is the SMILES notation for [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene?
The canonical SMILES for [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene is C=C(/C=C\C(C)=C/C)OC.CCc1ccc(/C(=C/CC(F)C(F)(F)F)NN)cc1.CF.
What is the InChIKey of [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene?
The InChIKey is RGHWUDXUNXGJIM-DQAGHXBOSA-N. The full InChI is InChI=1S/C13H16F4N2.C9H14O.CH3F/c1-2-9-3-5-10(6-4-9)11(19-18)7-8-12(14)13(15,16)17;1-5-8(2)6-7-9(3)10-4;1-2/h3-7,12,19H,2,8,18H2,1H3;5-7H,3H2,1-2,4H3;1H3/b11-7-;7-6-,8-5-;.
What are the key properties of [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene?
[(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene has a molecular weight of 448.52 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-ethylphenyl)-4,5,5,5-tetrafluoropent-1-enyl]hydrazine;fluoromethane;(3Z,5Z)-2-methoxy-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 142903426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).