2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid

C4H4F4O3 — CID 79357398

IUPAC2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)C(F)OCC(F)(F)F
InChIInChI=1S/C4H4F4O3/c5-2(3(9)10)11-1-4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyJUKMLZRPRGKCMG-UHFFFAOYSA-N
MW176.06 g/mol
LogP0.95
Rot. Bonds3

About 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid

2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid (PubChem CID 79357398) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
PubChem CID79357398
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
SMILESO=C(O)C(F)OCC(F)(F)F
InChIInChI=1S/C4H4F4O3/c5-2(3(9)10)11-1-4(6,7)8/h2H,1H2,(H,9,10)
InChIKeyJUKMLZRPRGKCMG-UHFFFAOYSA-N
XLogP0.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
dimethyl 2-(2,2,2-trifluoroethoxy)propanedioate
CID 146296842
2,2,2-trifluoroethyl 2-bromo-2-fluoroacetate
CID 162536281
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
amino(2,2,2-trifluoroethoxy)methanol
CID 91264167
2-fluoro-2-(2-propoxyethoxy)acetic acid
CID 79357516
2,2,2-trifluoroethyl 2,2,3,3-tetrafluoropropanoate
CID 134247680
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 24867806
2,2,2-trifluoroethoxymethanediolate
CID 149435105
2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490488
2-fluoro-2-pent-4-enoxyacetic acid
CID 79356959
(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid (CID 79357398) is 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid is O=C(O)C(F)OCC(F)(F)F.
What is the InChIKey of 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid?
The InChIKey is JUKMLZRPRGKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-2(3(9)10)11-1-4(6,7)8/h2H,1H2,(H,9,10).
What are the key properties of 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid?
2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid has a molecular weight of 176.06 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid is sourced from PubChem (CID 79357398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).