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

C16H17F2N — CID 144782000

IUPAC(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(F)CC2C(=CCC)/C=C\C=C/1C
InChIInChI=1S/C16H17F2N/c1-3-5-11-7-4-6-10(2)16(19)15-13(11)8-12(17)9-14(15)18/h4-7,9,13,19H,3,8H2,1-2H3/b7-4-,10-6-,11-5?,19-16+
InChIKeyRBOXGPQDYKJKTG-VMVKPCLOSA-N
MW261.31 g/mol
LogP4.96
Rot. Bonds1

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

(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine (PubChem CID 144782000) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine.

Molecular Properties

Compound Name(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
PubChem CID144782000
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
SMILES[H]/N=C1C2=C(F)C=C(F)CC2C(=CCC)/C=C\C=C/1C
InChIInChI=1S/C16H17F2N/c1-3-5-11-7-4-6-10(2)16(19)15-13(11)8-12(17)9-14(15)18/h4-7,9,13,19H,3,8H2,1-2H3/b7-4-,10-6-,11-5?,19-16+
InChIKeyRBOXGPQDYKJKTG-VMVKPCLOSA-N
XLogP4.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,8Z)-2,4-difluoro-6-methyl-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
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
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(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
3-Fluoro-4-(iminomethylidene)-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-imine
CID 142522965
(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)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The IUPAC name of (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine (CID 144782000) is (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine.
What is the SMILES notation for (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The canonical SMILES for (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine is [H]/N=C1C2=C(F)C=C(F)CC2C(=CCC)/C=C\C=C/1C.
What is the InChIKey of (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
The InChIKey is RBOXGPQDYKJKTG-VMVKPCLOSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-5-11-7-4-6-10(2)16(19)15-13(11)8-12(17)9-14(15)18/h4-7,9,13,19H,3,8H2,1-2H3/b7-4-,10-6-,11-5?,19-16+.
What are the key properties of (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine?
(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine has a molecular weight of 261.31 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine is sourced from PubChem (CID 144782000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).