(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine

C17H19F2N — CID 163505329

IUPAC(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1C(C2(C)CC2=C)=CC(F)=CC1(C)F
InChIInChI=1S/C17H19F2N/c1-5-6-7-14(20)15-13(16(3)9-11(16)2)8-12(18)10-17(15,4)19/h5-8,10,15,20H,1-2,9H2,3-4H3/b7-6-,20-14+
InChIKeyCYCNYTOZIXWJBA-VIXILHFFSA-N
MW275.34 g/mol
LogP4.85
Rot. Bonds4

About (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine

(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine (PubChem CID 163505329) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
PubChem CID163505329
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1C(C2(C)CC2=C)=CC(F)=CC1(C)F
InChIInChI=1S/C17H19F2N/c1-5-6-7-14(20)15-13(16(3)9-11(16)2)8-12(18)10-17(15,4)19/h5-8,10,15,20H,1-2,9H2,3-4H3/b7-6-,20-14+
InChIKeyCYCNYTOZIXWJBA-VIXILHFFSA-N
XLogP4.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-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
3-Cyclohexa-1,5-dien-1-yl-4-(5,6-difluorocyclohexa-1,5-dien-1-yl)pentan-2-imine
CID 135190781
5-[3-Bromo-5-[1-(difluoromethyl)cyclopropyl]cyclohexa-1,3-dien-1-yl]-7-methylocta-1,7-dien-3-imine
CID 135227362
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144782000
3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine
CID 144805589
4-[(3E,7E)-7-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]nona-3,7-dien-2-yl]cyclohex-3-en-1-imine
CID 162546879
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine?
The IUPAC name of (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) is (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C)C1C(C2(C)CC2=C)=CC(F)=CC1(C)F.
What is the InChIKey of (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine?
The InChIKey is CYCNYTOZIXWJBA-VIXILHFFSA-N. The full InChI is InChI=1S/C17H19F2N/c1-5-6-7-14(20)15-13(16(3)9-11(16)2)8-12(18)10-17(15,4)19/h5-8,10,15,20H,1-2,9H2,3-4H3/b7-6-,20-14+.
What are the key properties of (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine?
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine has a molecular weight of 275.34 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 163505329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).