N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide

C31H20F6N2 — CID 89495787

IUPACN'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide
SMILESN/C(=N\C(=C/CC(F)(F)F)C(F)(F)F)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C31H20F6N2/c32-29(33,34)16-15-27(31(35,36)37)39-28(38)18-13-14-22-21-9-3-6-12-25(21)30(26(22)17-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)30/h1-15,17H,16H2,(H2,38,39)/b27-15-
InChIKeyYEXYFZYSVFCPOG-DICXZTSXSA-N
MW534.50 g/mol
LogP8.13
Rot. Bonds3

About N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide

N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide (PubChem CID 89495787) has the molecular formula C31H20F6N2 and a molecular weight of 534.50 g/mol. Its IUPAC name is N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide
PubChem CID89495787
Molecular FormulaC31H20F6N2
Molecular Weight534.50 g/mol
Exact Mass534.15
IUPAC NameN'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide
SMILESN/C(=N\C(=C/CC(F)(F)F)C(F)(F)F)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C31H20F6N2/c32-29(33,34)16-15-27(31(35,36)37)39-28(38)18-13-14-22-21-9-3-6-12-25(21)30(26(22)17-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)30/h1-15,17H,16H2,(H2,38,39)/b27-15-
InChIKeyYEXYFZYSVFCPOG-DICXZTSXSA-N
XLogP8.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide?
The IUPAC name of N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide (CID 89495787) is N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide.
What is the SMILES notation for N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide?
The canonical SMILES for N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide is N/C(=N\C(=C/CC(F)(F)F)C(F)(F)F)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide?
The InChIKey is YEXYFZYSVFCPOG-DICXZTSXSA-N. The full InChI is InChI=1S/C31H20F6N2/c32-29(33,34)16-15-27(31(35,36)37)39-28(38)18-13-14-22-21-9-3-6-12-25(21)30(26(22)17-18)23-10-4-1-7-19(23)20-8-2-5-11-24(20)30/h1-15,17H,16H2,(H2,38,39)/b27-15-.
What are the key properties of N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide?
N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide has a molecular weight of 534.50 g/mol, XLogP of 8.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-9,9'-spirobi[fluorene]-2-carboximidamide is sourced from PubChem (CID 89495787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).