(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine

C17H22FN — CID 176962942

IUPAC(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C(F)=CC=C\C1=C(\C)C1(C(C)CC)CC1
InChIInChI=1S/C17H22FN/c1-5-12(3)17(10-11-17)13(4)14-8-7-9-15(18)16(14)19-6-2/h6-9,12H,2,5,10-11H2,1,3-4H3/b14-13+,19-16-
InChIKeyKBMCSWCDUPQQAX-FLPHNWQUSA-N
MW259.37 g/mol
LogP5.14
Rot. Bonds4

About (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine

(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine (PubChem CID 176962942) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
PubChem CID176962942
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C(F)=CC=C\C1=C(\C)C1(C(C)CC)CC1
InChIInChI=1S/C17H22FN/c1-5-12(3)17(10-11-17)13(4)14-8-7-9-15(18)16(14)19-6-2/h6-9,12H,2,5,10-11H2,1,3-4H3/b14-13+,19-16-
InChIKeyKBMCSWCDUPQQAX-FLPHNWQUSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6-trimethyl-9,10-dihydrobenzo[h]quinoline
CID 144427813
3-(1-But-1-enyl-2-ethylcyclopropyl)-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 155300341
(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
CID 156706395
10-Butan-2-yl-7-fluoro-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 167118987
(6E)-2-fluoro-N-methyl-6-[1-(1-methylcyclopropyl)-2-methylidenebutylidene]cyclohexa-2,4-dien-1-imine
CID 176962375
(6E)-N-ethenyl-6-[1-(1-ethylcyclopropyl)ethylidene]-3-fluorocyclohexa-2,4-dien-1-imine
CID 176962611
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-[(E)-but-1-enyl]-3-fluorocyclohexa-2,4-dien-1-imine
CID 176962639
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
7-Fluoro-10-(3-fluorohex-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 142512915
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
7-Fluoro-5,6,6-trimethyl-10-(3-methylhept-4-en-3-yl)-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 145082629
7-Fluoro-5,6,6-trimethyl-10-(3-methylhex-4-en-3-yl)-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 156646889

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine (CID 176962942) is (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine is C=C/N=C1\C(F)=CC=C\C1=C(\C)C1(C(C)CC)CC1.
What is the InChIKey of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine?
The InChIKey is KBMCSWCDUPQQAX-FLPHNWQUSA-N. The full InChI is InChI=1S/C17H22FN/c1-5-12(3)17(10-11-17)13(4)14-8-7-9-15(18)16(14)19-6-2/h6-9,12H,2,5,10-11H2,1,3-4H3/b14-13+,19-16-.
What are the key properties of (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine?
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine has a molecular weight of 259.37 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176962942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).