(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine

C31H20F6N2 — CID 138484424

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine
SMILESN/C(=C\C(=N\Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H20F6N2/c32-30(33,34)27(38)16-28(31(35,36)37)39-17-18-13-14-22-21-9-3-6-12-25(21)29(26(22)15-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)29/h1-16H,17,38H2/b27-16-,39-28-
InChIKeyUBZLCADDCMURLR-MKHMLTGXSA-N
MW534.50 g/mol
LogP7.94
Rot. Bonds3

About (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine

(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine (PubChem CID 138484424) has the molecular formula C31H20F6N2 and a molecular weight of 534.50 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine
PubChem CID138484424
Molecular FormulaC31H20F6N2
Molecular Weight534.50 g/mol
Exact Mass534.15
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine
SMILESN/C(=C\C(=N\Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C31H20F6N2/c32-30(33,34)27(38)16-28(31(35,36)37)39-17-18-13-14-22-21-9-3-6-12-25(21)29(26(22)15-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)29/h1-16H,17,38H2/b27-16-,39-28-
InChIKeyUBZLCADDCMURLR-MKHMLTGXSA-N
XLogP7.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]
CID 123921989
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
N'-[N-[[7'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]methyl]-C-(4-phenylphenyl)carbonimidoyl]-N-methylidene-4-phenylbenzenecarboximidamide
CID 139376532
2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
CID 22016048
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
N-[(3,5-diphenylphenyl)-(methylamino)methyl]-3,5-diphenyl-N'-(9,9'-spirobi[fluorene]-2-ylmethyl)benzenecarboximidamide
CID 155711939
N-[(3,5-diphenylphenyl)-(methylamino)methyl]-3,5-diphenyl-N'-(9,9'-spirobi[fluorene]-2-ylmethyl)benzenecarboximidamide;ethane
CID 155711938
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
1-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)ethanimine
CID 144639664
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
CID 23150327

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine (CID 138484424) is (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine is N/C(=C\C(=N\Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine?
The InChIKey is UBZLCADDCMURLR-MKHMLTGXSA-N. The full InChI is InChI=1S/C31H20F6N2/c32-30(33,34)27(38)16-28(31(35,36)37)39-17-18-13-14-22-21-9-3-6-12-25(21)29(26(22)15-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)29/h1-16H,17,38H2/b27-16-,39-28-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine?
(Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine has a molecular weight of 534.50 g/mol, XLogP of 7.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-(9,9'-spirobi[fluorene]-2-ylmethylimino)pent-2-en-2-amine is sourced from PubChem (CID 138484424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).