(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone

C28H23F6NO2 — CID 129116473

IUPAC(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1/C(=N\O)C(=O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C28H23F6NO2/c1-17-6-2-3-7-19(17)24(35-37)25(36)18-10-11-21-20-8-4-5-9-22(20)26(23(21)16-18,12-14-27(29,30)31)13-15-28(32,33)34/h2-11,16,37H,12-15H2,1H3/b35-24+
InChIKeySKHUXOFMPHFCTF-JWHWKPFMSA-N
MW519.49 g/mol
LogP8.01
Rot. Bonds7

About (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone

(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone (PubChem CID 129116473) has the molecular formula C28H23F6NO2 and a molecular weight of 519.49 g/mol. Its IUPAC name is (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone
PubChem CID129116473
Molecular FormulaC28H23F6NO2
Molecular Weight519.49 g/mol
Exact Mass519.16
IUPAC Name(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1/C(=N\O)C(=O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C28H23F6NO2/c1-17-6-2-3-7-19(17)24(35-37)25(36)18-10-11-21-20-8-4-5-9-22(20)26(23(21)16-18,12-14-27(29,30)31)13-15-28(32,33)34/h2-11,16,37H,12-15H2,1H3/b35-24+
InChIKeySKHUXOFMPHFCTF-JWHWKPFMSA-N
XLogP8.01
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.49
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone 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 (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone?
The IUPAC name of (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone (CID 129116473) is (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone.
What is the SMILES notation for (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone?
The canonical SMILES for (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone is Cc1ccccc1/C(=N\O)C(=O)c1ccc2c(c1)C(CCC(F)(F)F)(CCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone?
The InChIKey is SKHUXOFMPHFCTF-JWHWKPFMSA-N. The full InChI is InChI=1S/C28H23F6NO2/c1-17-6-2-3-7-19(17)24(35-37)25(36)18-10-11-21-20-8-4-5-9-22(20)26(23(21)16-18,12-14-27(29,30)31)13-15-28(32,33)34/h2-11,16,37H,12-15H2,1H3/b35-24+.
What are the key properties of (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone?
(2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone has a molecular weight of 519.49 g/mol, XLogP of 8.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[9,9-bis(3,3,3-trifluoropropyl)fluoren-2-yl]-2-hydroxyimino-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 129116473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).