(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol

C19H18BrF3O3 — CID 138674126

IUPAC(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(O)CCOc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18BrF3O3/c1-17(2,24)7-8-26-11-9-14-16(15(20)10-11)12-5-3-4-6-13(12)18(14,25)19(21,22)23/h3-6,9-10,24-25H,7-8H2,1-2H3/t18-/m1/s1
InChIKeyVUFLHVRDXWTLDR-GOSISDBHSA-N
MW431.25 g/mol
LogP4.77
Rot. Bonds4

About (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol

(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 138674126) has the molecular formula C19H18BrF3O3 and a molecular weight of 431.25 g/mol. Its IUPAC name is (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID138674126
Molecular FormulaC19H18BrF3O3
Molecular Weight431.25 g/mol
Exact Mass430.04
IUPAC Name(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(C)(O)CCOc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18BrF3O3/c1-17(2,24)7-8-26-11-9-14-16(15(20)10-11)12-5-3-4-6-13(12)18(14,25)19(21,22)23/h3-6,9-10,24-25H,7-8H2,1-2H3/t18-/m1/s1
InChIKeyVUFLHVRDXWTLDR-GOSISDBHSA-N
XLogP4.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.77
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-(Cyclobutylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492544
2-(Cyclohexylmethoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492550
2-(2,2-Dimethylpropoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492631
2-(2-Methylpropoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492636

Frequently Asked Questions

What is the IUPAC name of (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 138674126) is (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol is CC(C)(O)CCOc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is VUFLHVRDXWTLDR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18BrF3O3/c1-17(2,24)7-8-26-11-9-14-16(15(20)10-11)12-5-3-4-6-13(12)18(14,25)19(21,22)23/h3-6,9-10,24-25H,7-8H2,1-2H3/t18-/m1/s1.
What are the key properties of (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol?
(9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 431.25 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-bromo-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 138674126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).