[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine

C8H13FN2 — CID 143782177

IUPAC[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
SMILESC=C(NN)/C(F)=C(C)\C=C/C
InChIInChI=1S/C8H13FN2/c1-4-5-6(2)8(9)7(3)11-10/h4-5,11H,3,10H2,1-2H3/b5-4-,8-6+
InChIKeyXPPPBESBHAAERH-GSGSLZOQSA-N
MW156.20 g/mol
LogP1.78
Rot. Bonds3

About [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine

[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine (PubChem CID 143782177) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
PubChem CID143782177
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
SMILESC=C(NN)/C(F)=C(C)\C=C/C
InChIInChI=1S/C8H13FN2/c1-4-5-6(2)8(9)7(3)11-10/h4-5,11H,3,10H2,1-2H3/b5-4-,8-6+
InChIKeyXPPPBESBHAAERH-GSGSLZOQSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-1-(3-methylhexa-2,4-dien-2-yl)hydrazine
CID 123829658
[(2E,4Z,6E)-1,1,1,5-tetrafluoro-4-[(Z)-prop-1-enyl]deca-2,4,6-trien-2-yl]hydrazine
CID 132050198
(5-Fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
CID 139334698
(6-Fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)hydrazine
CID 143119737
ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772148
[(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-yl]hydrazine
CID 143782158
[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]hydrazine
CID 143936287
[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]hydrazine
CID 144097644
3-Ethyl-6-fluoro-4-methyl-1,2-dihydropyridazine
CID 146392507
3-Fluoro-6-propan-2-yl-1,2-dihydropyridazine
CID 146392527
6-Fluoro-4-methyl-3-propan-2-yl-1,2-dihydropyridazine
CID 146392568
[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]hydrazine
CID 156837174

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine?
The IUPAC name of [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine (CID 143782177) is [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine.
What is the SMILES notation for [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine?
The canonical SMILES for [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine is C=C(NN)/C(F)=C(C)\C=C/C.
What is the InChIKey of [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine?
The InChIKey is XPPPBESBHAAERH-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-5-6(2)8(9)7(3)11-10/h4-5,11H,3,10H2,1-2H3/b5-4-,8-6+.
What are the key properties of [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine?
[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine has a molecular weight of 156.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine is sourced from PubChem (CID 143782177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).