2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride

C6H2F12O3 — CID 88684763

IUPAC2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
SMILESF.O=C(O)C(F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3.FH/c7-2(1(18)19,4(9,10)11)20-3(8,5(12,13)14)6(15,16)17;/h(H,18,19);1H
InChIKeyTZRXQOIXVCRAKI-UHFFFAOYSA-N
MW350.06 g/mol
LogP3.26
Rot. Bonds3

About 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride

2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride (PubChem CID 88684763) has the molecular formula C6H2F12O3 and a molecular weight of 350.06 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
PubChem CID88684763
Molecular FormulaC6H2F12O3
Molecular Weight350.06 g/mol
Exact Mass349.98
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
SMILESF.O=C(O)C(F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3.FH/c7-2(1(18)19,4(9,10)11)20-3(8,5(12,13)14)6(15,16)17;/h(H,18,19);1H
InChIKeyTZRXQOIXVCRAKI-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.06
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoic acid
CID 102469476
2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 11484889
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
4-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
CID 58623351
2-[[4-[bis(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethyl]-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexyl]-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethoxy]-2,3,3,3-tetrafluoropropanoic acid
CID 89198614
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 87472249
azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 174355166
bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid
CID 157441886
3,4,4,4-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-oxobutanoic acid
CID 139831264
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride (CID 88684763) is 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride is F.O=C(O)C(F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride?
The InChIKey is TZRXQOIXVCRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3.FH/c7-2(1(18)19,4(9,10)11)20-3(8,5(12,13)14)6(15,16)17;/h(H,18,19);1H.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride?
2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride has a molecular weight of 350.06 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride is sourced from PubChem (CID 88684763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).