2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol

C22H15F3O — CID 59492939

IUPAC2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(/C=C/c3ccccc3)cc21
InChIInChI=1S/C22H15F3O/c23-22(24,25)21(26)19-9-5-4-8-17(19)18-13-12-16(14-20(18)21)11-10-15-6-2-1-3-7-15/h1-14,26H/b11-10+
InChIKeyHTCPTLFWSWDULW-ZHACJKMWSA-N
MW352.36 g/mol
LogP5.64
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol

2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492939) has the molecular formula C22H15F3O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492939
Molecular FormulaC22H15F3O
Molecular Weight352.36 g/mol
Exact Mass352.11
IUPAC Name2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(/C=C/c3ccccc3)cc21
InChIInChI=1S/C22H15F3O/c23-22(24,25)21(26)19-9-5-4-8-17(19)18-13-12-16(14-20(18)21)11-10-15-6-2-1-3-7-15/h1-14,26H/b11-10+
InChIKeyHTCPTLFWSWDULW-ZHACJKMWSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492939) is 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(/C=C/c3ccccc3)cc21.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is HTCPTLFWSWDULW-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H15F3O/c23-22(24,25)21(26)19-9-5-4-8-17(19)18-13-12-16(14-20(18)21)11-10-15-6-2-1-3-7-15/h1-14,26H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol?
2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 352.36 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).