2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one

C8H9FO2 — CID 130561931

IUPAC2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1ccco1
InChIInChI=1S/C8H9FO2/c1-8(2,9)7(10)6-4-3-5-11-6/h3-5H,1-2H3
InChIKeyQRQKYKNCEZWAQK-UHFFFAOYSA-N
MW156.16 g/mol
LogP2.21
Rot. Bonds2

About 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one

2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one (PubChem CID 130561931) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
PubChem CID130561931
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)c1ccco1
InChIInChI=1S/C8H9FO2/c1-8(2,9)7(10)6-4-3-5-11-6/h3-5H,1-2H3
InChIKeyQRQKYKNCEZWAQK-UHFFFAOYSA-N
XLogP2.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560
(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
CID 134965729
furan-2-carboxylic acid;gold
CID 174701575
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408
furan-2-carboxylic acid;methanol
CID 70611195
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
CID 54608465
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
furan-2-carboxylic acid;methanamine
CID 82372767

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one (CID 130561931) is 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one is CC(C)(F)C(=O)c1ccco1.
What is the InChIKey of 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one?
The InChIKey is QRQKYKNCEZWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-8(2,9)7(10)6-4-3-5-11-6/h3-5H,1-2H3.
What are the key properties of 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one?
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one has a molecular weight of 156.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130561931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).