(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine

C12H16FN — CID 177041111

IUPAC(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=C(CCC)C=C(F)/C1=N\C
InChIInChI=1S/C12H16FN/c1-4-6-9-7-10(5-2)12(14-3)11(13)8-9/h5,7-8H,4,6H2,1-3H3/b10-5-,14-12-
InChIKeyGDOWJTCULKBIEV-JKRAQSOCSA-N
MW193.26 g/mol
LogP3.60
Rot. Bonds2

About (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine

(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine (PubChem CID 177041111) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
PubChem CID177041111
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
SMILESC/C=C1/C=C(CCC)C=C(F)/C1=N\C
InChIInChI=1S/C12H16FN/c1-4-6-9-7-10(5-2)12(14-3)11(13)8-9/h5,7-8H,4,6H2,1-3H3/b10-5-,14-12-
InChIKeyGDOWJTCULKBIEV-JKRAQSOCSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.60
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

2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
ethane;N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546380
1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
CID 143326041
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine (CID 177041111) is (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine is C/C=C1/C=C(CCC)C=C(F)/C1=N\C.
What is the InChIKey of (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine?
The InChIKey is GDOWJTCULKBIEV-JKRAQSOCSA-N. The full InChI is InChI=1S/C12H16FN/c1-4-6-9-7-10(5-2)12(14-3)11(13)8-9/h5,7-8H,4,6H2,1-3H3/b10-5-,14-12-.
What are the key properties of (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine?
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine has a molecular weight of 193.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 177041111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).