cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate

C20H20BF4NO — CID 23411858

IUPACcyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2c/c(=[NH+]\C3CCCC3)c3ccccc3o2)cc1
InChIInChI=1S/C20H19NO.BF4/c1-2-8-15(9-3-1)20-14-18(21-16-10-4-5-11-16)17-12-6-7-13-19(17)22-20;2-1(3,4)5/h1-3,6-9,12-14,16H,4-5,10-11H2;/q;-1/p+1/b21-18+;
InChIKeyDAEFGKCBCILDEZ-GOSREXKOSA-O
MW377.19 g/mol
LogP4.32
Rot. Bonds2

About cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate

cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate (PubChem CID 23411858) has the molecular formula C20H20BF4NO and a molecular weight of 377.19 g/mol. Its IUPAC name is cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate.

Molecular Properties

Compound Namecyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate
PubChem CID23411858
Molecular FormulaC20H20BF4NO
Molecular Weight377.19 g/mol
Exact Mass377.16
IUPAC Namecyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(-c2c/c(=[NH+]\C3CCCC3)c3ccccc3o2)cc1
InChIInChI=1S/C20H19NO.BF4/c1-2-8-15(9-3-1)20-14-18(21-16-10-4-5-11-16)17-12-6-7-13-19(17)22-20;2-1(3,4)5/h1-3,6-9,12-14,16H,4-5,10-11H2;/q;-1/p+1/b21-18+;
InChIKeyDAEFGKCBCILDEZ-GOSREXKOSA-O
XLogP4.32
TPSA27.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)chromen-4-ylidene]-[3-(trifluoromethyl)phenyl]azanium tetrafluoroborate
CID 23411942
3-hydroxypropyl-(2-phenylchromen-4-ylidene)azanium
CID 91939922
[2-(4-chlorophenyl)chromen-4-ylidene]-prop-2-enylazanium tetrafluoroborate
CID 23411961
2-phenylchromen-4-one
CID 90124083
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
4-fluoro-2-phenyl-1-benzofuran
CID 11424388
copper;2-phenylchromen-4-one
CID 175169427
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(3-chloro-4-methoxyphenyl)-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411989
2-phenylchromen-4-imine
CID 7728986
4-bromo-2-phenyl-1-benzofuran
CID 11277308

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate?
The IUPAC name of cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate (CID 23411858) is cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate.
What is the SMILES notation for cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate?
The canonical SMILES for cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(-c2c/c(=[NH+]\C3CCCC3)c3ccccc3o2)cc1.
What is the InChIKey of cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate?
The InChIKey is DAEFGKCBCILDEZ-GOSREXKOSA-O. The full InChI is InChI=1S/C20H19NO.BF4/c1-2-8-15(9-3-1)20-14-18(21-16-10-4-5-11-16)17-12-6-7-13-19(17)22-20;2-1(3,4)5/h1-3,6-9,12-14,16H,4-5,10-11H2;/q;-1/p+1/b21-18+;.
What are the key properties of cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate?
cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate has a molecular weight of 377.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2-phenylchromen-4-ylidene)azanium tetrafluoroborate is sourced from PubChem (CID 23411858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).