(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone

C11H10BrFO2 — CID 138750762

IUPAC(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1cccc(Br)c1F)[C@@H]1CCCO1
InChIInChI=1S/C11H10BrFO2/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2/t9-/m0/s1
InChIKeyDBMCWARMTQVFRD-VIFPVBQESA-N
MW273.10 g/mol
LogP2.95
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone

(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 138750762) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
PubChem CID138750762
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1cccc(Br)c1F)[C@@H]1CCCO1
InChIInChI=1S/C11H10BrFO2/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2/t9-/m0/s1
InChIKeyDBMCWARMTQVFRD-VIFPVBQESA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
CID 130505775
(2,6-difluorophenyl)-(oxolan-2-yl)methanone
CID 65331301
(4-bromothiophen-3-yl)-(oxolan-2-yl)methanone
CID 79596386
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-2-yl)methanone
CID 43340552
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 106644792
(3-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 107949641
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
(3-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 107957262
(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
CID 79602229
(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone
CID 106547689

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone (CID 138750762) is (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone is O=C(c1cccc(Br)c1F)[C@@H]1CCCO1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is DBMCWARMTQVFRD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9H,2,5-6H2/t9-/m0/s1.
What are the key properties of (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone?
(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 273.10 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 138750762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).