[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide

C18H4F12N2 — CID 153207602

IUPAC[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(C(F)(F)F)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(C(F)(F)F)cc21
InChIInChI=1S/C18H4F12N2/c19-15(20,21)10-1-6-7-2-11(16(22,23)24)13(18(28,29)30)4-9(7)14(32-5-31)8(6)3-12(10)17(25,26)27/h1-4H
InChIKeyWLDIEXWMCJDWBF-UHFFFAOYSA-N
MW476.22 g/mol
LogP7.06
Rot. Bonds

About [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide

[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide (PubChem CID 153207602) has the molecular formula C18H4F12N2 and a molecular weight of 476.22 g/mol. Its IUPAC name is [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide
PubChem CID153207602
Molecular FormulaC18H4F12N2
Molecular Weight476.22 g/mol
Exact Mass476.02
IUPAC Name[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(C(F)(F)F)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(C(F)(F)F)cc21
InChIInChI=1S/C18H4F12N2/c19-15(20,21)10-1-6-7-2-11(16(22,23)24)13(18(28,29)30)4-9(7)14(32-5-31)8(6)3-12(10)17(25,26)27/h1-4H
InChIKeyWLDIEXWMCJDWBF-UHFFFAOYSA-N
XLogP7.06
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.22
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 154028921
[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide
CID 88562664
[5-cyanoimino-2,3,7,8-tetrakis[4-fluoro-2-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 88896250
[10-imino-2,6-bis(trifluoromethyl)anthracen-9-ylidene]cyanamide
CID 89258727
[5-cyanoimino-2,3,7,8-tetrakis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]cyanamide
CID 89048329
[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide
CID 89039520
[2-[3,5-bis(trifluoromethyl)phenyl]-4-cyanoiminonaphthalen-1-ylidene]cyanamide
CID 163875317
4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
[2,5-bis[3,5-bis(trifluoromethyl)phenyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 118121487
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
5-bromo-2-(trifluoromethyl)benzonitrile
CID 50998133
[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
CID 90206169

Frequently Asked Questions

What is the IUPAC name of [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide (CID 153207602) is [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(C(F)(F)F)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(C(F)(F)F)cc21.
What is the InChIKey of [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The InChIKey is WLDIEXWMCJDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H4F12N2/c19-15(20,21)10-1-6-7-2-11(16(22,23)24)13(18(28,29)30)4-9(7)14(32-5-31)8(6)3-12(10)17(25,26)27/h1-4H.
What are the key properties of [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide has a molecular weight of 476.22 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 153207602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).