[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene

C12H11FN2 — CID 167521879

IUPAC[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene
SMILESC=c1c(C#CC)cc(F)c/c1=C/N=N/C
InChIInChI=1S/C12H11FN2/c1-4-5-10-6-12(13)7-11(9(10)2)8-15-14-3/h6-8H,2H2,1,3H3/b11-8-,15-14+
InChIKeyWEPIWWMRADVMIR-ZSBLQLENSA-N
MW202.23 g/mol
LogP1.43
Rot. Bonds1

About [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene

[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene (PubChem CID 167521879) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene.

Molecular Properties

Compound Name[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene
PubChem CID167521879
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene
SMILESC=c1c(C#CC)cc(F)c/c1=C/N=N/C
InChIInChI=1S/C12H11FN2/c1-4-5-10-6-12(13)7-11(9(10)2)8-15-14-3/h6-8H,2H2,1,3H3/b11-8-,15-14+
InChIKeyWEPIWWMRADVMIR-ZSBLQLENSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl-[(Z)-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene
CID 142872779

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene?
The IUPAC name of [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene (CID 167521879) is [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene.
What is the SMILES notation for [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene?
The canonical SMILES for [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene is C=c1c(C#CC)cc(F)c/c1=C/N=N/C.
What is the InChIKey of [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene?
The InChIKey is WEPIWWMRADVMIR-ZSBLQLENSA-N. The full InChI is InChI=1S/C12H11FN2/c1-4-5-10-6-12(13)7-11(9(10)2)8-15-14-3/h6-8H,2H2,1,3H3/b11-8-,15-14+.
What are the key properties of [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene?
[(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene has a molecular weight of 202.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-fluoro-6-methylidene-5-prop-1-ynylcyclohexa-2,4-dien-1-ylidene)methyl]-methyldiazene is sourced from PubChem (CID 167521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).