(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile

C11H12FNO — CID 166440157

IUPAC(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile
SMILESN#C[C@@H](CCCO)c1cccc(F)c1
InChIInChI=1S/C11H12FNO/c12-11-5-1-3-9(7-11)10(8-13)4-2-6-14/h1,3,5,7,10,14H,2,4,6H2/t10-/m1/s1
InChIKeyNODZBSGZYOWWMS-SNVBAGLBSA-N
MW193.22 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile

(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile (PubChem CID 166440157) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile
PubChem CID166440157
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile
SMILESN#C[C@@H](CCCO)c1cccc(F)c1
InChIInChI=1S/C11H12FNO/c12-11-5-1-3-9(7-11)10(8-13)4-2-6-14/h1,3,5,7,10,14H,2,4,6H2/t10-/m1/s1
InChIKeyNODZBSGZYOWWMS-SNVBAGLBSA-N
XLogP2.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile?
The IUPAC name of (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile (CID 166440157) is (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile is N#C[C@@H](CCCO)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile?
The InChIKey is NODZBSGZYOWWMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11-5-1-3-9(7-11)10(8-13)4-2-6-14/h1,3,5,7,10,14H,2,4,6H2/t10-/m1/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile?
(2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile has a molecular weight of 193.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-5-hydroxypentanenitrile is sourced from PubChem (CID 166440157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).