(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one

C19H13ClF2O2 — CID 134948010

IUPAC(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClF2O2/c20-16-9-7-13(8-10-16)17(23)19(21,22)18(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18,24H/t18-/m1/s1
InChIKeyIICSCRUXYMYFPN-GOSISDBHSA-N
MW346.76 g/mol
LogP5.04
Rot. Bonds4

About (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one

(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one (PubChem CID 134948010) has the molecular formula C19H13ClF2O2 and a molecular weight of 346.76 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one
PubChem CID134948010
Molecular FormulaC19H13ClF2O2
Molecular Weight346.76 g/mol
Exact Mass346.06
IUPAC Name(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C19H13ClF2O2/c20-16-9-7-13(8-10-16)17(23)19(21,22)18(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18,24H/t18-/m1/s1
InChIKeyIICSCRUXYMYFPN-GOSISDBHSA-N
XLogP5.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.76
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one (CID 134948010) is (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one is O=C(c1ccc(Cl)cc1)C(F)(F)[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one?
The InChIKey is IICSCRUXYMYFPN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H13ClF2O2/c20-16-9-7-13(8-10-16)17(23)19(21,22)18(24)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18,24H/t18-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one?
(3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one has a molecular weight of 346.76 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 134948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).