4-bromo-9-(trifluoromethyl)fluoren-9-ol

C14H8BrF3O — CID 59493116

IUPAC4-bromo-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C14H8BrF3O/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10,19)14(16,17)18/h1-7,19H
InChIKeyXALMKMTYEDCCFB-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.23
Rot. Bonds

About 4-bromo-9-(trifluoromethyl)fluoren-9-ol

4-bromo-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493116) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is 4-bromo-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-bromo-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493116
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name4-bromo-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C14H8BrF3O/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10,19)14(16,17)18/h1-7,19H
InChIKeyXALMKMTYEDCCFB-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-bromo-9-(trifluoromethyl)fluoren-9-ol (CID 59493116) is 4-bromo-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-bromo-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-bromo-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2c(Br)cccc21.
What is the InChIKey of 4-bromo-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is XALMKMTYEDCCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10,19)14(16,17)18/h1-7,19H.
What are the key properties of 4-bromo-9-(trifluoromethyl)fluoren-9-ol?
4-bromo-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 329.12 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).