(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile

C15H14FNOS — CID 125488716

IUPAC(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(F)s1
InChIInChI=1S/C15H14FNOS/c16-15-7-6-14(19-15)12(8-9-18)13(10-17)11-4-2-1-3-5-11/h1-7,12-13,18H,8-9H2/t12-,13+/m1/s1
InChIKeyDZCAWRXKEQILMM-OLZOCXBDSA-N
MW275.35 g/mol
LogP3.66
Rot. Bonds5

About (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile

(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile (PubChem CID 125488716) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile.

Molecular Properties

Compound Name(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
PubChem CID125488716
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile
SMILESN#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(F)s1
InChIInChI=1S/C15H14FNOS/c16-15-7-6-14(19-15)12(8-9-18)13(10-17)11-4-2-1-3-5-11/h1-7,12-13,18H,8-9H2/t12-,13+/m1/s1
InChIKeyDZCAWRXKEQILMM-OLZOCXBDSA-N
XLogP3.66
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile?
The IUPAC name of (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile (CID 125488716) is (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile.
What is the SMILES notation for (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile?
The canonical SMILES for (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile is N#C[C@@H](c1ccccc1)[C@@H](CCO)c1ccc(F)s1.
What is the InChIKey of (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile?
The InChIKey is DZCAWRXKEQILMM-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-15-7-6-14(19-15)12(8-9-18)13(10-17)11-4-2-1-3-5-11/h1-7,12-13,18H,8-9H2/t12-,13+/m1/s1.
What are the key properties of (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile?
(2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile has a molecular weight of 275.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(5-fluorothiophen-2-yl)-5-hydroxy-2-phenylpentanenitrile is sourced from PubChem (CID 125488716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).