2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid

C8H12F4O4 — CID 63073619

IUPAC2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
SMILESCCOC(COCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H12F4O4/c1-2-16-5(6(13)14)3-15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyNQPWGLGMJDHOEJ-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.39
Rot. Bonds8

About 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid

2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid (PubChem CID 63073619) has the molecular formula C8H12F4O4 and a molecular weight of 248.17 g/mol. Its IUPAC name is 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
PubChem CID63073619
Molecular FormulaC8H12F4O4
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
SMILESCCOC(COCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C8H12F4O4/c1-2-16-5(6(13)14)3-15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyNQPWGLGMJDHOEJ-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-propoxypropanoic acid
CID 63074501
2-ethoxy-3-pentoxypropanoic acid
CID 63074511
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 99769531
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993438
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
(2R)-2-ethoxybutanedioic acid
CID 101245963
1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid?
The IUPAC name of 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid (CID 63073619) is 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid is CCOC(COCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid?
The InChIKey is NQPWGLGMJDHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O4/c1-2-16-5(6(13)14)3-15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid?
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid has a molecular weight of 248.17 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid is sourced from PubChem (CID 63073619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).