[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium

C18H17FNO+ — CID 150327512

IUPAC[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
SMILESCc1cc(-c2ccc(F)cc2)oc2cc(=[N+](C)C)ccc1-2
InChIInChI=1S/C18H17FNO/c1-12-10-17(13-4-6-14(19)7-5-13)21-18-11-15(20(2)3)8-9-16(12)18/h4-11H,1-3H3/q+1
InChIKeyGOYNUUUUUJUKGW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.53
Rot. Bonds1

About [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium

[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium (PubChem CID 150327512) has the molecular formula C18H17FNO+ and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
PubChem CID150327512
Molecular FormulaC18H17FNO+
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
SMILESCc1cc(-c2ccc(F)cc2)oc2cc(=[N+](C)C)ccc1-2
InChIInChI=1S/C18H17FNO/c1-12-10-17(13-4-6-14(19)7-5-13)21-18-11-15(20(2)3)8-9-16(12)18/h4-11H,1-3H3/q+1
InChIKeyGOYNUUUUUJUKGW-UHFFFAOYSA-N
XLogP3.53
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium tetrafluoroborate
CID 155512760
Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1)
CID 113002
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
(4-Chromen-2-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20499539
Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
Diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
CID 91276437
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
2-(4-fluorophenyl)-N,N,5-trimethyl-6H-1-benzofuran-5-amine
CID 70639197
(3-fluorophenyl)methyl N-methylprop-2-enimidate
CID 123345945
(3-fluorophenyl)methyl N-methylbut-2-enimidate
CID 123498394
(4-fluorophenyl)methyl N-methylprop-2-enimidate
CID 123565522

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium?
The IUPAC name of [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium (CID 150327512) is [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium.
What is the SMILES notation for [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium?
The canonical SMILES for [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium is Cc1cc(-c2ccc(F)cc2)oc2cc(=[N+](C)C)ccc1-2.
What is the InChIKey of [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium?
The InChIKey is GOYNUUUUUJUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FNO/c1-12-10-17(13-4-6-14(19)7-5-13)21-18-11-15(20(2)3)8-9-16(12)18/h4-11H,1-3H3/q+1.
What are the key properties of [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium?
[2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium has a molecular weight of 282.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium is sourced from PubChem (CID 150327512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).