2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile

C11H11F2NO2 — CID 103375914

IUPAC2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
SMILESN#CC(OCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C11H11F2NO2/c12-11(13)9-3-1-2-8(6-9)10(7-14)16-5-4-15/h1-3,6,10-11,15H,4-5H2
InChIKeyNMMUKXHEYHNVSO-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile

2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile (PubChem CID 103375914) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
PubChem CID103375914
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
SMILESN#CC(OCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C11H11F2NO2/c12-11(13)9-3-1-2-8(6-9)10(7-14)16-5-4-15/h1-3,6,10-11,15H,4-5H2
InChIKeyNMMUKXHEYHNVSO-UHFFFAOYSA-N
XLogP2.20
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(3-hydroxypropoxy)acetonitrile
CID 103376500
2-(3-bromophenyl)-2-(3-hydroxypropoxy)acetonitrile
CID 103376654
2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
CID 174923221
2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375794
2-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375920
2-[[3-(difluoromethyl)phenyl]-hydroxymethyl]butanenitrile
CID 115530025
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 103376060
2-(4-fluoro-3-methylphenyl)-2-(3-hydroxypropoxy)acetonitrile
CID 103376524
2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
CID 115525696
2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
CID 66070895
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
3-amino-3-[3-(difluoromethyl)phenyl]propanenitrile
CID 55269014

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile (CID 103375914) is 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile is N#CC(OCCO)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile?
The InChIKey is NMMUKXHEYHNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)9-3-1-2-8(6-9)10(7-14)16-5-4-15/h1-3,6,10-11,15H,4-5H2.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile?
2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile has a molecular weight of 227.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile is sourced from PubChem (CID 103375914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).