2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid

C4H3F5O2 — CID 54261685

IUPAC2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)F
InChIInChI=1S/C4H3F5O2/c5-1-3(6,2(10)11)4(7,8)9/h1H2,(H,10,11)
InChIKeyRDYWDYUNQBNDOG-UHFFFAOYSA-N
MW178.06 g/mol
LogP1.31
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid

2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid (PubChem CID 54261685) has the molecular formula C4H3F5O2 and a molecular weight of 178.06 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid
PubChem CID54261685
Molecular FormulaC4H3F5O2
Molecular Weight178.06 g/mol
Exact Mass178.01
IUPAC Name2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)F
InChIInChI=1S/C4H3F5O2/c5-1-3(6,2(10)11)4(7,8)9/h1H2,(H,10,11)
InChIKeyRDYWDYUNQBNDOG-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
2-cyano-3,4,5,5,5-pentafluoro-4-(fluoromethyl)pent-2-enoic acid
CID 173091300
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
2,3-difluoro-2-fluorooxypropanoic acid
CID 22913165
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 173413742
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid (CID 54261685) is 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid is O=C(O)C(F)(CF)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid?
The InChIKey is RDYWDYUNQBNDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O2/c5-1-3(6,2(10)11)4(7,8)9/h1H2,(H,10,11).
What are the key properties of 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid?
2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid has a molecular weight of 178.06 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid is sourced from PubChem (CID 54261685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).