2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid

C10H7F2NO4 — CID 103566207

IUPAC2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid
SMILESCOc1cc(C#N)cc(OC(F)(F)C(=O)O)c1
InChIInChI=1S/C10H7F2NO4/c1-16-7-2-6(5-13)3-8(4-7)17-10(11,12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeySFBFSAVVMNKLBE-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid

2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid (PubChem CID 103566207) has the molecular formula C10H7F2NO4 and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid
PubChem CID103566207
Molecular FormulaC10H7F2NO4
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid
SMILESCOc1cc(C#N)cc(OC(F)(F)C(=O)O)c1
InChIInChI=1S/C10H7F2NO4/c1-16-7-2-6(5-13)3-8(4-7)17-10(11,12)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeySFBFSAVVMNKLBE-UHFFFAOYSA-N
XLogP1.62
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetate
CID 103566244
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
2-[3-cyano-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 135740671
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
3-(difluoromethyl)-5-methoxybenzonitrile
CID 68719258
2-[4-cyano-2-(trifluoromethyl)phenoxy]-2,2-difluoroacetic acid
CID 115467547
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
CID 43651972
(3-cyano-5-methoxyphenyl) N-chlorosulfonylcarbamate
CID 103568502
3-chloro-5-methoxybenzonitrile;3-chloro-5-(trifluoromethoxy)benzenecarbothioamide
CID 157376423
3-methyl-5-(trifluoromethoxy)benzonitrile
CID 21412932

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid (CID 103566207) is 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid is COc1cc(C#N)cc(OC(F)(F)C(=O)O)c1.
What is the InChIKey of 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid?
The InChIKey is SFBFSAVVMNKLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO4/c1-16-7-2-6(5-13)3-8(4-7)17-10(11,12)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid?
2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid has a molecular weight of 243.16 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid is sourced from PubChem (CID 103566207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).