fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium

C11H13FN+ — CID 171629318

IUPACfluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium
SMILESC=c1cccc/c1=C/[N+](F)=C(C)C
InChIInChI=1S/C11H13FN/c1-9(2)13(12)8-11-7-5-4-6-10(11)3/h4-8H,3H2,1-2H3/q+1/b11-8-
InChIKeyKAZWXVVJYCOTOH-FLIBITNWSA-N
MW178.23 g/mol
LogP1.21
Rot. Bonds1

About fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium

fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium (PubChem CID 171629318) has the molecular formula C11H13FN+ and a molecular weight of 178.23 g/mol. Its IUPAC name is fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium.

Molecular Properties

Compound Namefluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium
PubChem CID171629318
Molecular FormulaC11H13FN+
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namefluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium
SMILESC=c1cccc/c1=C/[N+](F)=C(C)C
InChIInChI=1S/C11H13FN/c1-9(2)13(12)8-11-7-5-4-6-10(11)3/h4-8H,3H2,1-2H3/q+1/b11-8-
InChIKeyKAZWXVVJYCOTOH-FLIBITNWSA-N
XLogP1.21
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
Dibenz[b,f]azocine
CID 23633137
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 145222315
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(E)-N-[(1Z)-2-ethylbuta-1,3-dienyl]-1,1,1-trifluoropent-3-en-2-imine
CID 163732423
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493
(6Z)-N-ethenyl-4-fluoro-6-(2-fluoroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 170142846
(3E,5Z)-3-fluoro-5-methyl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 172361995
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
6-Ethyl-7-fluoro-2-methyl-3,4-dihydroazocine
CID 173998928

Frequently Asked Questions

What is the IUPAC name of fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium?
The IUPAC name of fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium (CID 171629318) is fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium.
What is the SMILES notation for fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium?
The canonical SMILES for fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium is C=c1cccc/c1=C/[N+](F)=C(C)C.
What is the InChIKey of fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium?
The InChIKey is KAZWXVVJYCOTOH-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13FN/c1-9(2)13(12)8-11-7-5-4-6-10(11)3/h4-8H,3H2,1-2H3/q+1/b11-8-.
What are the key properties of fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium?
fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium has a molecular weight of 178.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-propan-2-ylideneazanium is sourced from PubChem (CID 171629318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).