2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide

C32H36F8N2 — CID 130380925

IUPAC2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide
SMILES[H]/N=C(/N=C(/c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)C(C)(C)C3(C)C)C(C)(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C32H36F8N2/c1-25(2)19-13-16(23(28(7,8)31(35,36)37)42-24(41)30(33,34)32(38,39)40)11-12-17(19)18-14-21-22(15-20(18)25)27(5,6)29(9,10)26(21,3)4/h11-15,41H,1-10H3/b41-24+,42-23-
InChIKeyWTVHAJAKCIXLBL-KWHNKCIJSA-N
MW600.64 g/mol
LogP10.14
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide

2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide (PubChem CID 130380925) has the molecular formula C32H36F8N2 and a molecular weight of 600.64 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide
PubChem CID130380925
Molecular FormulaC32H36F8N2
Molecular Weight600.64 g/mol
Exact Mass600.28
IUPAC Name2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide
SMILES[H]/N=C(/N=C(/c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)C(C)(C)C3(C)C)C(C)(C)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C32H36F8N2/c1-25(2)19-13-16(23(28(7,8)31(35,36)37)42-24(41)30(33,34)32(38,39)40)11-12-17(19)18-14-21-22(15-20(18)25)27(5,6)29(9,10)26(21,3)4/h11-15,41H,1-10H3/b41-24+,42-23-
InChIKeyWTVHAJAKCIXLBL-KWHNKCIJSA-N
XLogP10.14
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.64
LogP ≤ 510.14
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide (CID 130380925) is 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide is [H]/N=C(/N=C(/c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)C(C)(C)C3(C)C)C(C)(C)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide?
The InChIKey is WTVHAJAKCIXLBL-KWHNKCIJSA-N. The full InChI is InChI=1S/C32H36F8N2/c1-25(2)19-13-16(23(28(7,8)31(35,36)37)42-24(41)30(33,34)32(38,39)40)11-12-17(19)18-14-21-22(15-20(18)25)27(5,6)29(9,10)26(21,3)4/h11-15,41H,1-10H3/b41-24+,42-23-.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide?
2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide has a molecular weight of 600.64 g/mol, XLogP of 10.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[3,3,3-trifluoro-2,2-dimethyl-1-(1,1,2,2,3,3,9,9-octamethylcyclopenta[b]fluoren-7-yl)propylidene]propanimidamide is sourced from PubChem (CID 130380925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).