2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid

C10H8ClFO3 — CID 83050552

IUPAC2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H8ClFO3/c1-6(10(13)14)5-15-9-7(11)3-2-4-8(9)12/h2-4H,1,5H2,(H,13,14)
InChIKeyDHAHCUGZTVXLMV-UHFFFAOYSA-N
MW230.62 g/mol
LogP2.50
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid

2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid (PubChem CID 83050552) has the molecular formula C10H8ClFO3 and a molecular weight of 230.62 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
PubChem CID83050552
Molecular FormulaC10H8ClFO3
Molecular Weight230.62 g/mol
Exact Mass230.01
IUPAC Name2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H8ClFO3/c1-6(10(13)14)5-15-9-7(11)3-2-4-8(9)12/h2-4H,1,5H2,(H,13,14)
InChIKeyDHAHCUGZTVXLMV-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
CID 83052469
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
1-chloro-3-fluoro-2-(methoxymethoxy)benzene
CID 131130632
2-(2-chloro-6-fluorophenoxy)ethanethiol
CID 83053804
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid (CID 83050552) is 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid is C=C(COc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid?
The InChIKey is DHAHCUGZTVXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO3/c1-6(10(13)14)5-15-9-7(11)3-2-4-8(9)12/h2-4H,1,5H2,(H,13,14).
What are the key properties of 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid?
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid has a molecular weight of 230.62 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid is sourced from PubChem (CID 83050552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).