(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine

C17H20FN — CID 144913873

IUPAC(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(C)CC2C(=CCC)/C=C\C=C/1C
InChIInChI=1S/C17H20FN/c1-4-6-13-8-5-7-12(3)17(19)16-14(13)9-11(2)10-15(16)18/h5-8,10,14,19H,4,9H2,1-3H3/b8-5-,12-7-,13-6?,19-17+
InChIKeyVCWGPUQPNWEOKS-ODLHORLZSA-N
MW257.35 g/mol
LogP5.05
Rot. Bonds1

About (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine

(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 144913873) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Name(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID144913873
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(C)CC2C(=CCC)/C=C\C=C/1C
InChIInChI=1S/C17H20FN/c1-4-6-13-8-5-7-12(3)17(19)16-14(13)9-11(2)10-15(16)18/h5-8,10,14,19H,4,9H2,1-3H3/b8-5-,12-7-,13-6?,19-17+
InChIKeyVCWGPUQPNWEOKS-ODLHORLZSA-N
XLogP5.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine with MolForge

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Related Compounds

8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
1-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
[2-Fluoro-4-imino-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methylideneazanide
CID 142522964
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
6-Cycloheptyl-3-cyclooctyl-4-fluorocyclohexa-3,5-diene-1,2-diimine
CID 166682532
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142347280
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine (CID 144913873) is (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine is [H]/N=C1C2=C(F)C=C(C)CC2C(=CCC)/C=C\C=C/1C.
What is the InChIKey of (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is VCWGPUQPNWEOKS-ODLHORLZSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-6-13-8-5-7-12(3)17(19)16-14(13)9-11(2)10-15(16)18/h5-8,10,14,19H,4,9H2,1-3H3/b8-5-,12-7-,13-6?,19-17+.
What are the key properties of (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 257.35 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 144913873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).