N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine

C11H10FN — CID 142913217

IUPACN-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
SMILESC=C(/N=C/C)C1=C(F)C=C=CC=C1
InChIInChI=1S/C11H10FN/c1-3-13-9(2)10-7-5-4-6-8-11(10)12/h3-5,7-8H,2H2,1H3/b13-3+
InChIKeyREAFRLDBFGVMRU-QLKAYGNNSA-N
MW175.21 g/mol
LogP3.10
Rot. Bonds2

About N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine

N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine (PubChem CID 142913217) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine.

Molecular Properties

Compound NameN-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
PubChem CID142913217
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC NameN-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
SMILESC=C(/N=C/C)C1=C(F)C=C=CC=C1
InChIInChI=1S/C11H10FN/c1-3-13-9(2)10-7-5-4-6-8-11(10)12/h3-5,7-8H,2H2,1H3/b13-3+
InChIKeyREAFRLDBFGVMRU-QLKAYGNNSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.10
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

(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
7-fluoro-6-methyl-3H-azepine
CID 135211562

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine?
The IUPAC name of N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine (CID 142913217) is N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine.
What is the SMILES notation for N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine?
The canonical SMILES for N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine is C=C(/N=C/C)C1=C(F)C=C=CC=C1.
What is the InChIKey of N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine?
The InChIKey is REAFRLDBFGVMRU-QLKAYGNNSA-N. The full InChI is InChI=1S/C11H10FN/c1-3-13-9(2)10-7-5-4-6-8-11(10)12/h3-5,7-8H,2H2,1H3/b13-3+.
What are the key properties of N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine?
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine has a molecular weight of 175.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine is sourced from PubChem (CID 142913217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).