fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate

C4H2F6O2 — CID 174409170

IUPACfluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
SMILESO=C(OF)C(F)(CF)C(F)(F)F
InChIInChI=1S/C4H2F6O2/c5-1-3(6,2(11)12-10)4(7,8)9/h1H2
InChIKeyRNHPBEVJTSOVGT-UHFFFAOYSA-N
MW196.05 g/mol
LogP1.65
Rot. Bonds2

About fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate

fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate (PubChem CID 174409170) has the molecular formula C4H2F6O2 and a molecular weight of 196.05 g/mol. Its IUPAC name is fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate.

Molecular Properties

Compound Namefluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
PubChem CID174409170
Molecular FormulaC4H2F6O2
Molecular Weight196.05 g/mol
Exact Mass196.00
IUPAC Namefluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
SMILESO=C(OF)C(F)(CF)C(F)(F)F
InChIInChI=1S/C4H2F6O2/c5-1-3(6,2(11)12-10)4(7,8)9/h1H2
InChIKeyRNHPBEVJTSOVGT-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoro 2-fluoro-2-(trifluoromethyl)butanoate
CID 57470647
2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid
CID 54261685
fluoro 4-amino-2,2-difluoro-4-oxobutanoate
CID 87725843
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
CID 87233917
difluoro 2,2-dichloro-3,3-difluorobutanedioate
CID 174892159
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
1,1,2-trifluoroethyl 2-fluoroacetate
CID 151748690
2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
CID 87611035
2,3-difluoro-2-fluorooxypropanoic acid
CID 22913165
fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate
CID 59114952
2-cyano-3,4,5,5,5-pentafluoro-4-(fluoromethyl)pent-2-enoic acid
CID 173091300
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347

Frequently Asked Questions

What is the IUPAC name of fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate?
The IUPAC name of fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate (CID 174409170) is fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate.
What is the SMILES notation for fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate?
The canonical SMILES for fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate is O=C(OF)C(F)(CF)C(F)(F)F.
What is the InChIKey of fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate?
The InChIKey is RNHPBEVJTSOVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2/c5-1-3(6,2(11)12-10)4(7,8)9/h1H2.
What are the key properties of fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate?
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate has a molecular weight of 196.05 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate is sourced from PubChem (CID 174409170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).