3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile

C15H11F2NO2 — CID 107708789

IUPAC3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
SMILESN#Cc1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H11F2NO2/c16-13-7-11(9-18)8-14(17)15(13)20-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,19H,5-6H2
InChIKeyKJTASBRUXVCQML-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.16
Rot. Bonds4

About 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile

3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile (PubChem CID 107708789) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
PubChem CID107708789
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
SMILESN#Cc1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H11F2NO2/c16-13-7-11(9-18)8-14(17)15(13)20-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,19H,5-6H2
InChIKeyKJTASBRUXVCQML-UHFFFAOYSA-N
XLogP3.16
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
4-(2-hydroxyethyl)benzonitrile
CID 2800815
3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851
4-[4-(2-aminoethyl)phenoxy]-3-fluorobenzonitrile
CID 65362371
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
CID 106485841
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
4-[4-(cyanomethyl)phenoxy]-3,5-difluorobenzoic acid
CID 63077037
2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
CID 107708483
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
CID 43657432
4-[4-(2-hydroxyethyl)phenoxy]-2-nitrobenzonitrile
CID 107708799

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile (CID 107708789) is 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile is N#Cc1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile?
The InChIKey is KJTASBRUXVCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-13-7-11(9-18)8-14(17)15(13)20-12-3-1-10(2-4-12)5-6-19/h1-4,7-8,19H,5-6H2.
What are the key properties of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile?
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile has a molecular weight of 275.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile is sourced from PubChem (CID 107708789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).