2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile

C15H11F2NO2 — CID 63372522

IUPAC2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
SMILESC[C@@H](O)c1ccc(Oc2cccc(F)c2C#N)c(F)c1
InChIInChI=1S/C15H11F2NO2/c1-9(19)10-5-6-15(13(17)7-10)20-14-4-2-3-12(16)11(14)8-18/h2-7,9,19H,1H3/t9-/m1/s1
InChIKeyGWXJJCQMLZYJQB-SECBINFHSA-N
MW275.25 g/mol
LogP3.68
Rot. Bonds3

About 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile

2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile (PubChem CID 63372522) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
PubChem CID63372522
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
SMILESC[C@@H](O)c1ccc(Oc2cccc(F)c2C#N)c(F)c1
InChIInChI=1S/C15H11F2NO2/c1-9(19)10-5-6-15(13(17)7-10)20-14-4-2-3-12(16)11(14)8-18/h2-7,9,19H,1H3/t9-/m1/s1
InChIKeyGWXJJCQMLZYJQB-SECBINFHSA-N
XLogP3.68
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
CID 43609110
2-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-6-fluorobenzonitrile
CID 78938120
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile (CID 63372522) is 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile is C[C@@H](O)c1ccc(Oc2cccc(F)c2C#N)c(F)c1.
What is the InChIKey of 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The InChIKey is GWXJJCQMLZYJQB-SECBINFHSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-9(19)10-5-6-15(13(17)7-10)20-14-4-2-3-12(16)11(14)8-18/h2-7,9,19H,1H3/t9-/m1/s1.
What are the key properties of 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile has a molecular weight of 275.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile is sourced from PubChem (CID 63372522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).