(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine

C17H20ClFN2 — CID 146320987

IUPAC(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine
SMILESC=C(C)/C=c1\cc(C(/C=N\N)=C(C)C)c(F)c(Cl)\c1=C\C
InChIInChI=1S/C17H20ClFN2/c1-6-13-12(7-10(2)3)8-14(17(19)16(13)18)15(9-21-20)11(4)5/h6-9H,2,20H2,1,3-5H3/b12-7-,13-6-,21-9-
InChIKeyZMPOPDXKUJCDSO-MNXVPZFDSA-N
MW306.81 g/mol
LogP3.37
Rot. Bonds3

About (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine

(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine (PubChem CID 146320987) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine.

Molecular Properties

Compound Name(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine
PubChem CID146320987
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine
SMILESC=C(C)/C=c1\cc(C(/C=N\N)=C(C)C)c(F)c(Cl)\c1=C\C
InChIInChI=1S/C17H20ClFN2/c1-6-13-12(7-10(2)3)8-14(17(19)16(13)18)15(9-21-20)11(4)5/h6-9H,2,20H2,1,3-5H3/b12-7-,13-6-,21-9-
InChIKeyZMPOPDXKUJCDSO-MNXVPZFDSA-N
XLogP3.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine?
The IUPAC name of (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine (CID 146320987) is (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine.
What is the SMILES notation for (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine?
The canonical SMILES for (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine is C=C(C)/C=c1\cc(C(/C=N\N)=C(C)C)c(F)c(Cl)\c1=C\C.
What is the InChIKey of (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine?
The InChIKey is ZMPOPDXKUJCDSO-MNXVPZFDSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-6-13-12(7-10(2)3)8-14(17(19)16(13)18)15(9-21-20)11(4)5/h6-9H,2,20H2,1,3-5H3/b12-7-,13-6-,21-9-.
What are the key properties of (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine?
(Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine has a molecular weight of 306.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-[(3Z,4E)-5-chloro-4-ethylidene-6-fluoro-3-(2-methylprop-2-enylidene)cyclohexa-1,5-dien-1-yl]-3-methylbut-2-enylidene]hydrazine is sourced from PubChem (CID 146320987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).