3-ethoxypropyl 2,2-difluoroacetate

C7H12F2O3 — CID 88537747

IUPAC3-ethoxypropyl 2,2-difluoroacetate
SMILESCCOCCCOC(=O)C(F)F
InChIInChI=1S/C7H12F2O3/c1-2-11-4-3-5-12-7(10)6(8)9/h6H,2-5H2,1H3
InChIKeyGCFZEQCSVLBDTJ-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.22
Rot. Bonds6

About 3-ethoxypropyl 2,2-difluoroacetate

3-ethoxypropyl 2,2-difluoroacetate (PubChem CID 88537747) has the molecular formula C7H12F2O3 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-ethoxypropyl 2,2-difluoroacetate.

Molecular Properties

Compound Name3-ethoxypropyl 2,2-difluoroacetate
PubChem CID88537747
Molecular FormulaC7H12F2O3
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name3-ethoxypropyl 2,2-difluoroacetate
SMILESCCOCCCOC(=O)C(F)F
InChIInChI=1S/C7H12F2O3/c1-2-11-4-3-5-12-7(10)6(8)9/h6H,2-5H2,1H3
InChIKeyGCFZEQCSVLBDTJ-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(3-ethoxypropyl) 2-methylpropanedioate
CID 101278684
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
3-ethoxypropyl acetate
CID 14847874
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
bis(3-ethoxypropyl) butanedioate
CID 101278689
6-ethoxyhexyl acetate
CID 123617931
bis(4-ethoxybutyl) (Z)-but-2-enedioate
CID 87899357
3-ethoxypropyl buta-2,3-dienoate
CID 90940644
2-methylpropyl 5-ethoxypentanoate
CID 134561758
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 160952055
3-ethoxypropyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 122155440
6-ethoxyhexyl prop-2-enoate
CID 88877184

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl 2,2-difluoroacetate?
The IUPAC name of 3-ethoxypropyl 2,2-difluoroacetate (CID 88537747) is 3-ethoxypropyl 2,2-difluoroacetate.
What is the SMILES notation for 3-ethoxypropyl 2,2-difluoroacetate?
The canonical SMILES for 3-ethoxypropyl 2,2-difluoroacetate is CCOCCCOC(=O)C(F)F.
What is the InChIKey of 3-ethoxypropyl 2,2-difluoroacetate?
The InChIKey is GCFZEQCSVLBDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3/c1-2-11-4-3-5-12-7(10)6(8)9/h6H,2-5H2,1H3.
What are the key properties of 3-ethoxypropyl 2,2-difluoroacetate?
3-ethoxypropyl 2,2-difluoroacetate has a molecular weight of 182.17 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl 2,2-difluoroacetate is sourced from PubChem (CID 88537747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).