(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one

C23H16F2O2 — CID 139124035

IUPAC(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@H](O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H16F2O2/c24-23(25,21(26)15-8-2-1-3-9-15)22(27)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14,22,27H/t22-/m1/s1
InChIKeyVIMOYKQCJKUTCS-JOCHJYFZSA-N
MW362.38 g/mol
LogP5.54
Rot. Bonds4

About (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one

(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one (PubChem CID 139124035) has the molecular formula C23H16F2O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
PubChem CID139124035
Molecular FormulaC23H16F2O2
Molecular Weight362.38 g/mol
Exact Mass362.11
IUPAC Name(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)[C@H](O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H16F2O2/c24-23(25,21(26)15-8-2-1-3-9-15)22(27)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14,22,27H/t22-/m1/s1
InChIKeyVIMOYKQCJKUTCS-JOCHJYFZSA-N
XLogP5.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
9-(1-deuteriooxy-2,2,2-trifluoroethyl)anthracene
CID 22850478
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
2,2-difluoro-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1-phenylpropan-1-one
CID 164671794
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
(E)-7-anthracen-9-yl-7-hydroxy-1-phenylhept-2-en-1-one
CID 138977315
2,2-difluoro-3-hydroxy-1-phenyloctan-1-one
CID 86073360
1-anthracen-9-yl-2,2,2-trifluoroethanol;5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene;2,3-diphenyloxirane;2-hydroxy-1,2-diphenylethanone
CID 157064947
4-anthracen-9-yl-2,2-difluorobutanoic acid
CID 175399771
anthracene;diphenylmethanone
CID 87408663

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one (CID 139124035) is (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)[C@H](O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The InChIKey is VIMOYKQCJKUTCS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16F2O2/c24-23(25,21(26)15-8-2-1-3-9-15)22(27)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14,22,27H/t22-/m1/s1.
What are the key properties of (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
(3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one has a molecular weight of 362.38 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anthracen-9-yl-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 139124035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).