(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone

C11H5BrF2O2 — CID 106941716

IUPAC(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H5BrF2O2/c12-7-1-2-8(13)9(10(7)14)11(15)6-3-4-16-5-6/h1-5H
InChIKeyRSGDRCJAXVNBIT-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.55
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone

(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone (PubChem CID 106941716) has the molecular formula C11H5BrF2O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
PubChem CID106941716
Molecular FormulaC11H5BrF2O2
Molecular Weight287.06 g/mol
Exact Mass285.94
IUPAC Name(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H5BrF2O2/c12-7-1-2-8(13)9(10(7)14)11(15)6-3-4-16-5-6/h1-5H
InChIKeyRSGDRCJAXVNBIT-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
(4-bromo-3-chlorophenyl)-(furan-3-yl)methanone
CID 114971763
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone (CID 106941716) is (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone is O=C(c1ccoc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone?
The InChIKey is RSGDRCJAXVNBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2O2/c12-7-1-2-8(13)9(10(7)14)11(15)6-3-4-16-5-6/h1-5H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone?
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone has a molecular weight of 287.06 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone is sourced from PubChem (CID 106941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).