(2-fluorophenyl) 2,3-dichloropropanoate

C9H7Cl2FO2 — CID 171472839

IUPAC(2-fluorophenyl) 2,3-dichloropropanoate
SMILESO=C(Oc1ccccc1F)C(Cl)CCl
InChIInChI=1S/C9H7Cl2FO2/c10-5-6(11)9(13)14-8-4-2-1-3-7(8)12/h1-4,6H,5H2
InChIKeyVCVYFCKHSOAOME-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.58
Rot. Bonds3

About (2-fluorophenyl) 2,3-dichloropropanoate

(2-fluorophenyl) 2,3-dichloropropanoate (PubChem CID 171472839) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is (2-fluorophenyl) 2,3-dichloropropanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2,3-dichloropropanoate
PubChem CID171472839
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Name(2-fluorophenyl) 2,3-dichloropropanoate
SMILESO=C(Oc1ccccc1F)C(Cl)CCl
InChIInChI=1S/C9H7Cl2FO2/c10-5-6(11)9(13)14-8-4-2-1-3-7(8)12/h1-4,6H,5H2
InChIKeyVCVYFCKHSOAOME-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2,3-dichloropropanoate
CID 15055281
bis(2-fluorophenyl) hexanedioate
CID 91704928
(2-fluorophenyl) 2-methylpentanoate
CID 78777060
1-O-(8-chlorooctyl) 4-O-(2-fluorophenyl) butanedioate
CID 91702085
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
(2-fluorophenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577967
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-fluorophenyl) N-ethylcarbamate
CID 127543525
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313
1-O-butyl 5-O-(2-fluorophenyl) pentanedioate
CID 91709020
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2,3-dichloropropanoate?
The IUPAC name of (2-fluorophenyl) 2,3-dichloropropanoate (CID 171472839) is (2-fluorophenyl) 2,3-dichloropropanoate.
What is the SMILES notation for (2-fluorophenyl) 2,3-dichloropropanoate?
The canonical SMILES for (2-fluorophenyl) 2,3-dichloropropanoate is O=C(Oc1ccccc1F)C(Cl)CCl.
What is the InChIKey of (2-fluorophenyl) 2,3-dichloropropanoate?
The InChIKey is VCVYFCKHSOAOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2/c10-5-6(11)9(13)14-8-4-2-1-3-7(8)12/h1-4,6H,5H2.
What are the key properties of (2-fluorophenyl) 2,3-dichloropropanoate?
(2-fluorophenyl) 2,3-dichloropropanoate has a molecular weight of 237.06 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2,3-dichloropropanoate is sourced from PubChem (CID 171472839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).