1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine

C16H14FNO2 — CID 71525202

IUPAC1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C16H14FNO2/c17-13-3-5-14(6-4-13)18-11-12-2-7-15-16(10-12)20-9-1-8-19-15/h2-7,10-11H,1,8-9H2/b18-11+
InChIKeyVDJYCYKODZMGSG-WOJGMQOQSA-N
MW271.29 g/mol
LogP3.74
Rot. Bonds2

About 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine (PubChem CID 71525202) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
PubChem CID71525202
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C16H14FNO2/c17-13-3-5-14(6-4-13)18-11-12-2-7-15-16(10-12)20-9-1-8-19-15/h2-7,10-11H,1,8-9H2/b18-11+
InChIKeyVDJYCYKODZMGSG-WOJGMQOQSA-N
XLogP3.74
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 2776388
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
(E)-3-(4-fluorophenyl)-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
CID 6248752
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
CID 3562864
(4E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-one
CID 108936985
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
6-[[(S)-tritiosulfinyl]iminomethyl]-2,3-dihydro-1,4-benzodioxine
CID 123927050
7-isocyanato-3,4-dihydro-2H-1,5-benzodioxepine
CID 2776391
[2-(4-fluoroanilino)-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate
CID 7724963

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine (CID 71525202) is 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc3c(c2)OCCCO3)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine?
The InChIKey is VDJYCYKODZMGSG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-3-5-14(6-4-13)18-11-12-2-7-15-16(10-12)20-9-1-8-19-15/h2-7,10-11H,1,8-9H2/b18-11+.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine?
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine has a molecular weight of 271.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 71525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).