(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile

C11H12FNO2 — CID 71446141

IUPAC(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile
SMILESN#CC[C@H](O)COCc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-15-8-11(14)5-6-13/h1-4,11,14H,5,7-8H2/t11-/m0/s1
InChIKeyUMIDQFPTMDDPHD-NSHDSACASA-N
MW209.22 g/mol
LogP1.62
Rot. Bonds5

About (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile

(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile (PubChem CID 71446141) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile.

Molecular Properties

Compound Name(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile
PubChem CID71446141
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile
SMILESN#CC[C@H](O)COCc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-15-8-11(14)5-6-13/h1-4,11,14H,5,7-8H2/t11-/m0/s1
InChIKeyUMIDQFPTMDDPHD-NSHDSACASA-N
XLogP1.62
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile?
The IUPAC name of (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile (CID 71446141) is (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile.
What is the SMILES notation for (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile?
The canonical SMILES for (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile is N#CC[C@H](O)COCc1ccc(F)cc1.
What is the InChIKey of (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile?
The InChIKey is UMIDQFPTMDDPHD-NSHDSACASA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)7-15-8-11(14)5-6-13/h1-4,11,14H,5,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile?
(3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile has a molecular weight of 209.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(4-fluorophenyl)methoxy]-3-hydroxybutanenitrile is sourced from PubChem (CID 71446141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).