(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate

C11H10BrF2NO2 — CID 172624646

IUPAC(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1F)N1CCC(F)C1
InChIInChI=1S/C11H10BrF2NO2/c12-7-1-2-10(9(14)5-7)17-11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2
InChIKeyUFKNBXDSRWMUDV-UHFFFAOYSA-N
MW306.11 g/mol
LogP3.13
Rot. Bonds1

About (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate

(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate (PubChem CID 172624646) has the molecular formula C11H10BrF2NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate
PubChem CID172624646
Molecular FormulaC11H10BrF2NO2
Molecular Weight306.11 g/mol
Exact Mass304.99
IUPAC Name(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Br)cc1F)N1CCC(F)C1
InChIInChI=1S/C11H10BrF2NO2/c12-7-1-2-10(9(14)5-7)17-11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2
InChIKeyUFKNBXDSRWMUDV-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl) (3S)-3-(1,3-benzoxazol-2-yl)piperidine-1-carboxylate
CID 99784934
4-[(3S)-3-(4-bromo-2-fluorophenoxy)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylic acid
CID 141321067
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 119485838
2-(4-bromo-2-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119637827
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
(4-bromo-2-fluorophenyl) 2-bromo-4-fluorobenzoate
CID 16563059
(4-bromo-2-fluorophenyl) 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylate
CID 55687990
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate?
The IUPAC name of (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate (CID 172624646) is (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate is O=C(Oc1ccc(Br)cc1F)N1CCC(F)C1.
What is the InChIKey of (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate?
The InChIKey is UFKNBXDSRWMUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO2/c12-7-1-2-10(9(14)5-7)17-11(16)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6H2.
What are the key properties of (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate?
(4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate has a molecular weight of 306.11 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl) 3-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 172624646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).