(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine

C14H16FN — CID 176961924

IUPAC(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C)CC1
InChIInChI=1S/C14H16FN/c1-4-16-13-9-11(15)5-6-12(13)10(2)14(3)7-8-14/h4-6,9H,1,7-8H2,2-3H3/b12-10+,16-13+
InChIKeyNVUPAYSAWOGWFL-XBKMVRDJSA-N
MW217.29 g/mol
LogP4.11
Rot. Bonds2

About (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine

(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine (PubChem CID 176961924) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine
PubChem CID176961924
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C)CC1
InChIInChI=1S/C14H16FN/c1-4-16-13-9-11(15)5-6-12(13)10(2)14(3)7-8-14/h4-6,9H,1,7-8H2,2-3H3/b12-10+,16-13+
InChIKeyNVUPAYSAWOGWFL-XBKMVRDJSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 54.11
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

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
(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
(6E)-6-[1-(1-butan-2-ylcyclopropyl)ethylidene]-N-ethenyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 176962942
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
(4Z)-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine
CID 129035894
(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
CID 130314997
(4E)-5-tert-butyl-N-ethenyl-2,2-dimethylhepta-4,6-dien-3-imine
CID 130369573
(E)-N,5-bis(ethenyl)-2,2,6,6-tetramethylnon-4-en-3-imine
CID 132061392
(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine
CID 134266799
2-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-3,4-dihydropyridine
CID 138532970

Frequently Asked Questions

What is the IUPAC name of (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine (CID 176961924) is (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine is C=C/N=C1\C=C(F)C=C\C1=C(\C)C1(C)CC1.
What is the InChIKey of (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine?
The InChIKey is NVUPAYSAWOGWFL-XBKMVRDJSA-N. The full InChI is InChI=1S/C14H16FN/c1-4-16-13-9-11(15)5-6-12(13)10(2)14(3)7-8-14/h4-6,9H,1,7-8H2,2-3H3/b12-10+,16-13+.
What are the key properties of (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine?
(6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine has a molecular weight of 217.29 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-ethenyl-3-fluoro-6-[1-(1-methylcyclopropyl)ethylidene]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176961924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).