ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine

C11H19F3N2 — CID 143772148

IUPACethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
SMILESC=C(C)/C=C(\C=C(/C)NN)C(F)(F)F.CC
InChIInChI=1S/C9H13F3N2.C2H6/c1-6(2)4-8(9(10,11)12)5-7(3)14-13;1-2/h4-5,14H,1,13H2,2-3H3;1-2H3/b7-5+,8-4+;
InChIKeyMANZRGAYRPJZAV-VDQZQDHGSA-N
MW236.28 g/mol
LogP3.44
Rot. Bonds3

About ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine

ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine (PubChem CID 143772148) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine.

Molecular Properties

Compound Nameethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
PubChem CID143772148
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Nameethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
SMILESC=C(C)/C=C(\C=C(/C)NN)C(F)(F)F.CC
InChIInChI=1S/C9H13F3N2.C2H6/c1-6(2)4-8(9(10,11)12)5-7(3)14-13;1-2/h4-5,14H,1,13H2,2-3H3;1-2H3/b7-5+,8-4+;
InChIKeyMANZRGAYRPJZAV-VDQZQDHGSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.44
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

[3-(2,2,2-Trifluoroethyl)cyclopenta-1,3-dien-1-yl]hydrazine
CID 117622091
[(2E,4Z,6E)-1,1,1,5-tetrafluoro-4-[(Z)-prop-1-enyl]deca-2,4,6-trien-2-yl]hydrazine
CID 132050198
[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine
CID 137392388
(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
CID 138535212
[3-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]hydrazine
CID 141911656
[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 143782177
[(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 ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine?
The IUPAC name of ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine (CID 143772148) is ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine.
What is the SMILES notation for ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine?
The canonical SMILES for ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine is C=C(C)/C=C(\C=C(/C)NN)C(F)(F)F.CC.
What is the InChIKey of ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine?
The InChIKey is MANZRGAYRPJZAV-VDQZQDHGSA-N. The full InChI is InChI=1S/C9H13F3N2.C2H6/c1-6(2)4-8(9(10,11)12)5-7(3)14-13;1-2/h4-5,14H,1,13H2,2-3H3;1-2H3/b7-5+,8-4+;.
What are the key properties of ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine?
ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine has a molecular weight of 236.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine is sourced from PubChem (CID 143772148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).