1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

C11H10BrFO3 — CID 142766516

IUPAC1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Br)ccc2F)CC1CO
InChIInChI=1S/C11H10BrFO3/c12-7-1-2-9(13)8(3-7)11(10(15)16)4-6(11)5-14/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyXDAFVVOYOQYALU-UHFFFAOYSA-N
MW289.10 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 142766516) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
PubChem CID142766516
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Br)ccc2F)CC1CO
InChIInChI=1S/C11H10BrFO3/c12-7-1-2-9(13)8(3-7)11(10(15)16)4-6(11)5-14/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyXDAFVVOYOQYALU-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]-2-chloroacetamide
CID 76831232
N-[(3S,4R,6S)-3-(5-bromo-2-fluorophenyl)-4-(hydroxymethyl)-6-methyloxan-3-yl]-2,2,2-trifluoroacetamide
CID 121372447
[(1S,2R,4S)-1-(5-bromo-2-fluorophenyl)-4-cyclopropyloxy-2-(hydroxymethyl)cyclopentyl]azanium
CID 145156748
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
3-(5-bromo-2-fluorophenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105360066
3-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]-2-methylpropanoic acid
CID 116872169
1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863
[(2R,4R,5S)-5-amino-5-(5-bromo-2-fluorophenyl)-2-(phenylmethoxymethyl)oxan-4-yl]methanol
CID 59281210
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid (CID 142766516) is 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(Br)ccc2F)CC1CO.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is XDAFVVOYOQYALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-7-1-2-9(13)8(3-7)11(10(15)16)4-6(11)5-14/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 289.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142766516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).