2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid

C9H5ClFNO3 — CID 114322405

IUPAC2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
SMILESN#Cc1c(Cl)cccc1OC(F)C(=O)O
InChIInChI=1S/C9H5ClFNO3/c10-6-2-1-3-7(5(6)4-12)15-8(11)9(13)14/h1-3,8H,(H,13,14)
InChIKeyUQTGRLOXPLMLJC-UHFFFAOYSA-N
MW229.59 g/mol
LogP1.97
Rot. Bonds3

About 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid

2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid (PubChem CID 114322405) has the molecular formula C9H5ClFNO3 and a molecular weight of 229.59 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
PubChem CID114322405
Molecular FormulaC9H5ClFNO3
Molecular Weight229.59 g/mol
Exact Mass228.99
IUPAC Name2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
SMILESN#Cc1c(Cl)cccc1OC(F)C(=O)O
InChIInChI=1S/C9H5ClFNO3/c10-6-2-1-3-7(5(6)4-12)15-8(11)9(13)14/h1-3,8H,(H,13,14)
InChIKeyUQTGRLOXPLMLJC-UHFFFAOYSA-N
XLogP1.97
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
ethyl 2-(3-chloro-2-cyanophenoxy)pentanoate
CID 83037631
2-(3-chloro-2-cyanophenoxy)-2,2-difluoroacetic acid
CID 114322410
2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
methyl 2-(3-chloro-2-cyanophenoxy)-2-cyclopropylacetate
CID 114322408
2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid (CID 114322405) is 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid is N#Cc1c(Cl)cccc1OC(F)C(=O)O.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid?
The InChIKey is UQTGRLOXPLMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO3/c10-6-2-1-3-7(5(6)4-12)15-8(11)9(13)14/h1-3,8H,(H,13,14).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid?
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid has a molecular weight of 229.59 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 114322405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).