4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol

C16H12BrF3O3 — CID 143972374

IUPAC4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCOc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12BrF3O3/c17-13-8-9(23-6-5-21)7-12-14(13)10-3-1-2-4-11(10)15(12,22)16(18,19)20/h1-4,7-8,21-22H,5-6H2
InChIKeyPURPFMZRAJUDNN-UHFFFAOYSA-N
MW389.17 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol

4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 143972374) has the molecular formula C16H12BrF3O3 and a molecular weight of 389.17 g/mol. Its IUPAC name is 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID143972374
Molecular FormulaC16H12BrF3O3
Molecular Weight389.17 g/mol
Exact Mass387.99
IUPAC Name4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCOc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H12BrF3O3/c17-13-8-9(23-6-5-21)7-12-14(13)10-3-1-2-4-11(10)15(12,22)16(18,19)20/h1-4,7-8,21-22H,5-6H2
InChIKeyPURPFMZRAJUDNN-UHFFFAOYSA-N
XLogP3.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
4-[4-Bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492661
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
2-(6-Hydroxyhexoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492866
Methyl 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
CID 59492911
2-Pentoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493222
2-Propan-2-yloxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492791
2-(3-Hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492896
2-Ethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492985
2-(2-Hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59493072

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 143972374) is 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCOc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is PURPFMZRAJUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O3/c17-13-8-9(23-6-5-21)7-12-14(13)10-3-1-2-4-11(10)15(12,22)16(18,19)20/h1-4,7-8,21-22H,5-6H2.
What are the key properties of 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol?
4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 389.17 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-hydroxyethoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 143972374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).