1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine

C18H25F2N — CID 142357536

IUPAC1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
SMILESCC=CC(C)(C(C)F)C1CC=CC=C1/C(C)=N/C=C(\C)F
InChIInChI=1S/C18H25F2N/c1-6-11-18(5,15(4)20)17-10-8-7-9-16(17)14(3)21-12-13(2)19/h6-9,11-12,15,17H,10H2,1-5H3/b11-6?,13-12+,21-14+
InChIKeyBDVSYRPWTMGCOY-XLSFNIMSSA-N
MW293.40 g/mol
LogP5.72
Rot. Bonds5

About 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine

1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine (PubChem CID 142357536) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
PubChem CID142357536
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC Name1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
SMILESCC=CC(C)(C(C)F)C1CC=CC=C1/C(C)=N/C=C(\C)F
InChIInChI=1S/C18H25F2N/c1-6-11-18(5,15(4)20)17-10-8-7-9-16(17)14(3)21-12-13(2)19/h6-9,11-12,15,17H,10H2,1-5H3/b11-6?,13-12+,21-14+
InChIKeyBDVSYRPWTMGCOY-XLSFNIMSSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[2,3-Dimethyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]ethyl]-2-methyl-3,4-dihydropyridine
CID 123280534
1-[(6S)-6-ethenyl-2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl]-N-methylethanimine
CID 134485298
5-[3-[3-[(2Z)-4-(fluoromethyl)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-5-methyl-2-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl]-2,2-dimethylpropyl]-3-methyl-2H-pyrrole
CID 139471354
(3E,5E,7E)-2-[(Z)-3-butyl-2-propylhept-1-enyl]-6-ethyl-7-fluoroazocine
CID 142120902
7-Fluoro-10-(3-fluorohept-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 144825847
4-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)-3,5-dimethyl-2H-pyrrole
CID 156281232
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
N-[(E)-2-fluoroprop-1-enyl]-3,5,5-trimethyl-9-pent-2-enylbicyclo[4.2.2]deca-1(8),6-dien-2-imine
CID 166852242
(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
CID 166907528
10-Butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 167118987
1-(4,4-difluorocyclohexyl)-N-[(E)-2-(4,5-dimethylcyclohexa-2,4-dien-1-yl)pent-1-enyl]ethanimine
CID 167149016
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine?
The IUPAC name of 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine (CID 142357536) is 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine.
What is the SMILES notation for 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine?
The canonical SMILES for 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine is CC=CC(C)(C(C)F)C1CC=CC=C1/C(C)=N/C=C(\C)F.
What is the InChIKey of 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine?
The InChIKey is BDVSYRPWTMGCOY-XLSFNIMSSA-N. The full InChI is InChI=1S/C18H25F2N/c1-6-11-18(5,15(4)20)17-10-8-7-9-16(17)14(3)21-12-13(2)19/h6-9,11-12,15,17H,10H2,1-5H3/b11-6?,13-12+,21-14+.
What are the key properties of 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine?
1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine has a molecular weight of 293.40 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine is sourced from PubChem (CID 142357536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).