(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol

C9H10BrFO2 — CID 163228830

IUPAC(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
SMILESC[C@@H](CO)Oc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO2/c1-6(5-12)13-9-4-7(10)2-3-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyUSXYOVLKPBGOMV-LURJTMIESA-N
MW249.08 g/mol
LogP2.35
Rot. Bonds3

About (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol

(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol (PubChem CID 163228830) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
PubChem CID163228830
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
SMILESC[C@@H](CO)Oc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO2/c1-6(5-12)13-9-4-7(10)2-3-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1
InChIKeyUSXYOVLKPBGOMV-LURJTMIESA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
2-(5-bromo-2-fluorophenoxy)propanamide
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N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
CID 114677015
2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
CID 58242000
3-(5-bromo-2-fluorophenoxy)-2-methylpropane-1-thiol
CID 114677242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol?
The IUPAC name of (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol (CID 163228830) is (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol.
What is the SMILES notation for (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol?
The canonical SMILES for (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol is C[C@@H](CO)Oc1cc(Br)ccc1F.
What is the InChIKey of (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol?
The InChIKey is USXYOVLKPBGOMV-LURJTMIESA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-6(5-12)13-9-4-7(10)2-3-8(9)11/h2-4,6,12H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol?
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol has a molecular weight of 249.08 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol is sourced from PubChem (CID 163228830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).