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

C19H14F2O2 — CID 134948100

IUPAC(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14F2O2/c20-19(21,17(22)14-7-2-1-3-8-14)18(23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18,23H/t18-/m1/s1
InChIKeyQDALVAGBKTUCQW-GOSISDBHSA-N
MW312.32 g/mol
LogP4.39
Rot. Bonds4

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

(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one (PubChem CID 134948100) has the molecular formula C19H14F2O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
PubChem CID134948100
Molecular FormulaC19H14F2O2
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14F2O2/c20-19(21,17(22)14-7-2-1-3-8-14)18(23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18,23H/t18-/m1/s1
InChIKeyQDALVAGBKTUCQW-GOSISDBHSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
CID 139124035
2,2-difluoro-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1-phenylpropan-1-one
CID 164671794
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-naphthalen-2-yloctan-1-ol
CID 150329272
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
CID 102115212
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
naphthalen-2-ylmethanediol
CID 22496827
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one?
The IUPAC name of (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one (CID 134948100) is (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one?
The canonical SMILES for (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one?
The InChIKey is QDALVAGBKTUCQW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14F2O2/c20-19(21,17(22)14-7-2-1-3-8-14)18(23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18,23H/t18-/m1/s1.
What are the key properties of (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one?
(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one has a molecular weight of 312.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one is sourced from PubChem (CID 134948100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).