(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride

C9H5Cl2FO — CID 58417700

IUPAC(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
SMILESO=C(Cl)/C(F)=C/c1ccccc1Cl
InChIInChI=1S/C9H5Cl2FO/c10-7-4-2-1-3-6(7)5-8(12)9(11)13/h1-5H/b8-5-
InChIKeyMBAPVYCXPFGNLI-YVMONPNESA-N
MW219.04 g/mol
LogP3.42
Rot. Bonds2

About (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride

(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride (PubChem CID 58417700) has the molecular formula C9H5Cl2FO and a molecular weight of 219.04 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
PubChem CID58417700
Molecular FormulaC9H5Cl2FO
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
SMILESO=C(Cl)/C(F)=C/c1ccccc1Cl
InChIInChI=1S/C9H5Cl2FO/c10-7-4-2-1-3-6(7)5-8(12)9(11)13/h1-5H/b8-5-
InChIKeyMBAPVYCXPFGNLI-YVMONPNESA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride?
The IUPAC name of (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride (CID 58417700) is (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride is O=C(Cl)/C(F)=C/c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride?
The InChIKey is MBAPVYCXPFGNLI-YVMONPNESA-N. The full InChI is InChI=1S/C9H5Cl2FO/c10-7-4-2-1-3-6(7)5-8(12)9(11)13/h1-5H/b8-5-.
What are the key properties of (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride?
(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride has a molecular weight of 219.04 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride is sourced from PubChem (CID 58417700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).