3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile

C10H8FNO — CID 20581779

IUPAC3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile
SMILESN#Cc1cccc(/C=C(\F)CO)c1
InChIInChI=1S/C10H8FNO/c11-10(7-13)5-8-2-1-3-9(4-8)6-12/h1-5,13H,7H2/b10-5-
InChIKeyJUZLSXZLKFBBQS-YHYXMXQVSA-N
MW177.18 g/mol
LogP1.86
Rot. Bonds2

About 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile

3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile (PubChem CID 20581779) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile.

Molecular Properties

Compound Name3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile
PubChem CID20581779
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile
SMILESN#Cc1cccc(/C=C(\F)CO)c1
InChIInChI=1S/C10H8FNO/c11-10(7-13)5-8-2-1-3-9(4-8)6-12/h1-5,13H,7H2/b10-5-
InChIKeyJUZLSXZLKFBBQS-YHYXMXQVSA-N
XLogP1.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile?
The IUPAC name of 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile (CID 20581779) is 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile.
What is the SMILES notation for 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile?
The canonical SMILES for 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile is N#Cc1cccc(/C=C(\F)CO)c1.
What is the InChIKey of 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile?
The InChIKey is JUZLSXZLKFBBQS-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H8FNO/c11-10(7-13)5-8-2-1-3-9(4-8)6-12/h1-5,13H,7H2/b10-5-.
What are the key properties of 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile?
3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile has a molecular weight of 177.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]benzonitrile is sourced from PubChem (CID 20581779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).