2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol

C10H12BrFO — CID 117369450

IUPAC2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(CF)c(Br)c1
InChIInChI=1S/C10H12BrFO/c1-7(6-13)8-2-3-9(5-12)10(11)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyUZSUDPDKIQAXHJ-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.01
Rot. Bonds3

About 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol

2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol (PubChem CID 117369450) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
PubChem CID117369450
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(CF)c(Br)c1
InChIInChI=1S/C10H12BrFO/c1-7(6-13)8-2-3-9(5-12)10(11)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyUZSUDPDKIQAXHJ-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-amino-2-[3-bromo-4-(fluoromethyl)phenyl]acetic acid
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2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
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CID 97044410
2-[3-bromo-4-(2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 105424666
2-[3-bromo-4-(thiolan-3-yl)phenyl]propan-1-ol
CID 117485319
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol (CID 117369450) is 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol is CC(CO)c1ccc(CF)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol?
The InChIKey is UZSUDPDKIQAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-7(6-13)8-2-3-9(5-12)10(11)4-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol?
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol has a molecular weight of 247.11 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117369450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).