(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

C11H12BrF3O2 — CID 78996570

IUPAC(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCCC(F)(F)F
InChIInChI=1S/C11H12BrF3O2/c1-7(16)9-6-8(12)2-3-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1
InChIKeyKRIQJVQBRAGANS-SSDOTTSWSA-N
MW313.11 g/mol
LogP3.83
Rot. Bonds4

About (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (PubChem CID 78996570) has the molecular formula C11H12BrF3O2 and a molecular weight of 313.11 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
PubChem CID78996570
Molecular FormulaC11H12BrF3O2
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCCC(F)(F)F
InChIInChI=1S/C11H12BrF3O2/c1-7(16)9-6-8(12)2-3-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1
InChIKeyKRIQJVQBRAGANS-SSDOTTSWSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
N-[1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64553534
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591
5-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanenitrile
CID 62378839
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
(1R)-1-[5-bromo-2-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863612

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (CID 78996570) is (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is C[C@@H](O)c1cc(Br)ccc1OCCC(F)(F)F.
What is the InChIKey of (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The InChIKey is KRIQJVQBRAGANS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12BrF3O2/c1-7(16)9-6-8(12)2-3-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol has a molecular weight of 313.11 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 78996570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).