1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one

C13H10BrFO2 — CID 105116425

IUPAC1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeySRSDNISJCMWJEF-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.00
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one

1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 105116425) has the molecular formula C13H10BrFO2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
PubChem CID105116425
Molecular FormulaC13H10BrFO2
Molecular Weight297.12 g/mol
Exact Mass295.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeySRSDNISJCMWJEF-UHFFFAOYSA-N
XLogP4.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105124464
4-(5-bromo-2-fluorophenyl)-4-oxobutanenitrile
CID 43608246
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474
1-(5-bromo-2-fluorophenyl)hex-5-yn-1-one
CID 114894242
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 62716973
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one (CID 105116425) is 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is SRSDNISJCMWJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one?
1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 297.12 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 105116425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).