1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

C14H12BrFO2 — CID 64759970

IUPAC1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1occc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,1-2H3
InChIKeyGJDFMZWPPHIEMI-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.34
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 64759970) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID64759970
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1occc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFO2/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,1-2H3
InChIKeyGJDFMZWPPHIEMI-UHFFFAOYSA-N
XLogP4.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056102
2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
CID 64759760
1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759777
3-bromofuran-2-carbonyl bromide
CID 88622824
1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062307
2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol
CID 114833043
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101646

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 64759970) is 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)c1occc1Br)c1ccc(F)cc1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is GJDFMZWPPHIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 311.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 64759970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).