4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile

C10H8FNO — CID 170799259

IUPAC4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile
SMILESN#CCC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H8FNO/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7,13H,2H2
InChIKeyCZNMOUMKPSAZHO-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.46
Rot. Bonds2

About 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile

4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile (PubChem CID 170799259) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile
PubChem CID170799259
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile
SMILESN#CCC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H8FNO/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7,13H,2H2
InChIKeyCZNMOUMKPSAZHO-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile?
The IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile (CID 170799259) is 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile.
What is the SMILES notation for 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile?
The canonical SMILES for 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile is N#CCC=Cc1cc(O)cc(F)c1.
What is the InChIKey of 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile?
The InChIKey is CZNMOUMKPSAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-5-8(3-1-2-4-12)6-10(13)7-9/h1,3,5-7,13H,2H2.
What are the key properties of 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile?
4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile has a molecular weight of 177.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile is sourced from PubChem (CID 170799259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).