[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide

C28H12F8N2 — CID 88562664

IUPAC[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc21
InChIInChI=1S/C28H12F8N2/c29-24-11-16(27(31,32)33)3-7-18(24)14-1-5-20-21-6-2-15(10-23(21)26(38-13-37)22(20)9-14)19-8-4-17(12-25(19)30)28(34,35)36/h1-12H
InChIKeyDHFVSVHPUZIZCK-UHFFFAOYSA-N
MW528.40 g/mol
LogP8.64
Rot. Bonds2

About [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide

[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide (PubChem CID 88562664) has the molecular formula C28H12F8N2 and a molecular weight of 528.40 g/mol. Its IUPAC name is [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide
PubChem CID88562664
Molecular FormulaC28H12F8N2
Molecular Weight528.40 g/mol
Exact Mass528.09
IUPAC Name[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc21
InChIInChI=1S/C28H12F8N2/c29-24-11-16(27(31,32)33)3-7-18(24)14-1-5-20-21-6-2-15(10-23(21)26(38-13-37)22(20)9-14)19-8-4-17(12-25(19)30)28(34,35)36/h1-12H
InChIKeyDHFVSVHPUZIZCK-UHFFFAOYSA-N
XLogP8.64
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.40
LogP ≤ 58.64
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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Frequently Asked Questions

What is the IUPAC name of [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide (CID 88562664) is [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc21.
What is the InChIKey of [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide?
The InChIKey is DHFVSVHPUZIZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F8N2/c29-24-11-16(27(31,32)33)3-7-18(24)14-1-5-20-21-6-2-15(10-23(21)26(38-13-37)22(20)9-14)19-8-4-17(12-25(19)30)28(34,35)36/h1-12H.
What are the key properties of [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide?
[2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide has a molecular weight of 528.40 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis[2-fluoro-4-(trifluoromethyl)phenyl]fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 88562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).