2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile

C11H11F2NO — CID 115525696

IUPAC2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H11F2NO/c1-2-15-10(7-14)8-3-5-9(6-4-8)11(12)13/h3-6,10-11H,2H2,1H3
InChIKeyAXHFGTTZCHCTOZ-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile

2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile (PubChem CID 115525696) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
PubChem CID115525696
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H11F2NO/c1-2-15-10(7-14)8-3-5-9(6-4-8)11(12)13/h3-6,10-11H,2H2,1H3
InChIKeyAXHFGTTZCHCTOZ-UHFFFAOYSA-N
XLogP3.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
CID 66070895
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
CID 66071519
2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
CID 103375914
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
2-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile
CID 95566900
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
2-(3-bromothiophen-2-yl)-2-ethoxyacetonitrile
CID 115381456
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
2-[3-(difluoromethyl)phenyl]-2-(3-hydroxypropoxy)acetonitrile
CID 103376500
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-ethoxyacetonitrile
CID 66071932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile (CID 115525696) is 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile is CCOC(C#N)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile?
The InChIKey is AXHFGTTZCHCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-15-10(7-14)8-3-5-9(6-4-8)11(12)13/h3-6,10-11H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile?
2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile has a molecular weight of 211.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile is sourced from PubChem (CID 115525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).