(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine

C15H15F2N — CID 142347280

IUPAC(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C
InChIInChI=1S/C15H15F2N/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17/h3-6,8,12,18H,7H2,1-2H3/b6-4-,9-5-,10-3?,18-15+
InChIKeyNPJWTRLDYFLEJA-GJOYKWIJSA-N
MW247.29 g/mol
LogP4.57
Rot. Bonds

About (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine

(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 142347280) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Name(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID142347280
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C
InChIInChI=1S/C15H15F2N/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17/h3-6,8,12,18H,7H2,1-2H3/b6-4-,9-5-,10-3?,18-15+
InChIKeyNPJWTRLDYFLEJA-GJOYKWIJSA-N
XLogP4.57
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
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
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
1-(2,4-Dimethyl-3-methylidenecyclopenten-1-yl)-2,2,2-trifluoroethanimine
CID 169992462
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(4E)-2-methyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 176962621
(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-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
(6Z,8Z)-10-ethylidene-2-fluoro-4,6-dimethyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144323904

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine (CID 142347280) is (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine is [H]/N=C1C2=C(F)C=C(F)CC2C(=CC)/C=C\C=C/1C.
What is the InChIKey of (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is NPJWTRLDYFLEJA-GJOYKWIJSA-N. The full InChI is InChI=1S/C15H15F2N/c1-3-10-6-4-5-9(2)15(18)14-12(10)7-11(16)8-13(14)17/h3-6,8,12,18H,7H2,1-2H3/b6-4-,9-5-,10-3?,18-15+.
What are the key properties of (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine?
(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 247.29 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 142347280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).