2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride

C10H9ClF2O3 — CID 142905158

IUPAC2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
SMILESCC(F)(F)Oc1ccc(OCC(=O)Cl)cc1
InChIInChI=1S/C10H9ClF2O3/c1-10(12,13)16-8-4-2-7(3-5-8)15-6-9(11)14/h2-5H,6H2,1H3
InChIKeyOBWKGVXAOMEVPP-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride

2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride (PubChem CID 142905158) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
PubChem CID142905158
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
SMILESCC(F)(F)Oc1ccc(OCC(=O)Cl)cc1
InChIInChI=1S/C10H9ClF2O3/c1-10(12,13)16-8-4-2-7(3-5-8)15-6-9(11)14/h2-5H,6H2,1H3
InChIKeyOBWKGVXAOMEVPP-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-[4-(chloromethyl)phenoxy]acetyl chloride
CID 163550432
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
(Z)-3-methyl-4-[4-(trifluoromethoxy)phenoxy]but-2-enoic acid
CID 113497364
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
2-[4-nitro-3-(trifluoromethyl)phenoxy]acetyl chloride
CID 14040428
1-(4-chlorophenoxy)-3-methyl-3-(trifluoromethylsulfanyl)butan-2-one
CID 13117302
2-(7-methylnaphthalen-2-yl)oxyacetyl chloride
CID 139664130
3-(4-fluorophenoxy)-2,2-dimethylpropanoyl chloride
CID 82041206
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride?
The IUPAC name of 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride (CID 142905158) is 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride.
What is the SMILES notation for 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride?
The canonical SMILES for 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride is CC(F)(F)Oc1ccc(OCC(=O)Cl)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride?
The InChIKey is OBWKGVXAOMEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c1-10(12,13)16-8-4-2-7(3-5-8)15-6-9(11)14/h2-5H,6H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride?
2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride has a molecular weight of 250.63 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride is sourced from PubChem (CID 142905158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).