(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone

C11H8BrFO2 — CID 102652727

IUPAC(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1cccc(F)c1Br
InChIInChI=1S/C11H8BrFO2/c12-10-7(3-1-4-8(10)13)11(14)9-5-2-6-15-9/h1,3-5H,2,6H2
InChIKeyUGLRMJPREBJZRE-UHFFFAOYSA-N
MW271.08 g/mol
LogP3.08
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone

(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652727) has the molecular formula C11H8BrFO2 and a molecular weight of 271.08 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652727
Molecular FormulaC11H8BrFO2
Molecular Weight271.08 g/mol
Exact Mass269.97
IUPAC Name(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1cccc(F)c1Br
InChIInChI=1S/C11H8BrFO2/c12-10-7(3-1-4-8(10)13)11(14)9-5-2-6-15-9/h1,3-5H,2,6H2
InChIKeyUGLRMJPREBJZRE-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone (CID 102652727) is (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is UGLRMJPREBJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO2/c12-10-7(3-1-4-8(10)13)11(14)9-5-2-6-15-9/h1,3-5H,2,6H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone?
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 271.08 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).