cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate

C12H12BrFO2 — CID 86801392

IUPACcyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1Br)OCC1CC1
InChIInChI=1S/C12H12BrFO2/c13-11-6-10(14)4-3-9(11)5-12(15)16-7-8-1-2-8/h3-4,6,8H,1-2,5,7H2
InChIKeyKGLREGCMCOFVRB-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.08
Rot. Bonds4

About cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate

cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate (PubChem CID 86801392) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
PubChem CID86801392
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Namecyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1Br)OCC1CC1
InChIInChI=1S/C12H12BrFO2/c13-11-6-10(14)4-3-9(11)5-12(15)16-7-8-1-2-8/h3-4,6,8H,1-2,5,7H2
InChIKeyKGLREGCMCOFVRB-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
[(2S)-oxan-2-yl]methyl 2-(2-bromo-5-fluorophenyl)acetate
CID 99642168
1-(3-aminopyrrolidin-1-yl)-2-(2-bromo-4-fluorophenyl)ethanone;hydrochloride
CID 170456758
1-(1-aminocyclopropyl)-2-(2-bromo-4-fluorophenyl)ethanone
CID 116576510
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116604035
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979402
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446388
2-amino-1-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]ethanone
CID 117486160
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate?
The IUPAC name of cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate (CID 86801392) is cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate.
What is the SMILES notation for cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate?
The canonical SMILES for cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1Br)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate?
The InChIKey is KGLREGCMCOFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-11-6-10(14)4-3-9(11)5-12(15)16-7-8-1-2-8/h3-4,6,8H,1-2,5,7H2.
What are the key properties of cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate?
cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate has a molecular weight of 287.13 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate is sourced from PubChem (CID 86801392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).