(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one

C16H14F2O2 — CID 51063986

IUPAC(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
SMILESC[C@@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyXBLJRJZCBFBRNA-LLVKDONJSA-N
MW276.28 g/mol
LogP3.75
Rot. Bonds5

About (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one (PubChem CID 51063986) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
PubChem CID51063986
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
SMILESC[C@@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyXBLJRJZCBFBRNA-LLVKDONJSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 65125998
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
CID 43800781
2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 82809590
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545
2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid
CID 67687851
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
CID 43232354
1-(2,4-difluorophenyl)-2-[3-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]propan-1-one
CID 69234228
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The IUPAC name of (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one (CID 51063986) is (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one.
What is the SMILES notation for (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The canonical SMILES for (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one is C[C@@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The InChIKey is XBLJRJZCBFBRNA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)14-8-7-13(17)9-15(14)18/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one has a molecular weight of 276.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 51063986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).