(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one

C13H10F2O3 — CID 134965729

IUPAC(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
SMILESO=C(c1ccco1)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C13H10F2O3/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H/t11-/m1/s1
InChIKeyMMEALIPDHRNJGB-LLVKDONJSA-N
MW252.22 g/mol
LogP2.83
Rot. Bonds4

About (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one

(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one (PubChem CID 134965729) has the molecular formula C13H10F2O3 and a molecular weight of 252.22 g/mol. Its IUPAC name is (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
PubChem CID134965729
Molecular FormulaC13H10F2O3
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one
SMILESO=C(c1ccco1)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C13H10F2O3/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H/t11-/m1/s1
InChIKeyMMEALIPDHRNJGB-LLVKDONJSA-N
XLogP2.83
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
2,2-difluoro-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 130457174
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;methanol
CID 70611195
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one?
The IUPAC name of (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one (CID 134965729) is (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one is O=C(c1ccco1)C(F)(F)[C@H](O)c1ccccc1.
What is the InChIKey of (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one?
The InChIKey is MMEALIPDHRNJGB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H10F2O3/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H/t11-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one?
(3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one has a molecular weight of 252.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-1-(furan-2-yl)-3-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 134965729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).