2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride

C8H12F6O7 — CID 87449319

IUPAC2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride
SMILESF.O=C(O)C(OCF)(OCF)C(OCF)(OCF)OCF
InChIInChI=1S/C8H11F5O7.FH/c9-1-16-7(6(14)15,17-2-10)8(18-3-11,19-4-12)20-5-13;/h1-5H2,(H,14,15);1H
InChIKeyDIJUBSRHETZZTO-UHFFFAOYSA-N
MW334.17 g/mol
LogP1.29
Rot. Bonds12

About 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride

2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride (PubChem CID 87449319) has the molecular formula C8H12F6O7 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride.

Molecular Properties

Compound Name2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride
PubChem CID87449319
Molecular FormulaC8H12F6O7
Molecular Weight334.17 g/mol
Exact Mass334.05
IUPAC Name2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride
SMILESF.O=C(O)C(OCF)(OCF)C(OCF)(OCF)OCF
InChIInChI=1S/C8H11F5O7.FH/c9-1-16-7(6(14)15,17-2-10)8(18-3-11,19-4-12)20-5-13;/h1-5H2,(H,14,15);1H
InChIKeyDIJUBSRHETZZTO-UHFFFAOYSA-N
XLogP1.29
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
butanedioic acid;difluoromethane
CID 159584710
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
bis[2,3-difluoro-2-(fluoromethyl)propyl] carbonate
CID 139329509
2,3-difluoro-2-fluorooxypropanoic acid
CID 22913165
2-(fluoromethoxy)acetic acid
CID 162467662
bis(carbonofluoridic acid);fluoromethyl carbonofluoridate
CID 175227827
(E,2S)-2,5-diamino-2-(fluoromethyl)pent-3-enoic acid
CID 94462022
CID 175908128
CID 175908128
2,2-dichloro-2-(hydroxymethoxy)acetic acid
CID 166878279
2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoic acid
CID 54261685

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride?
The IUPAC name of 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride (CID 87449319) is 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride.
What is the SMILES notation for 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride?
The canonical SMILES for 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride is F.O=C(O)C(OCF)(OCF)C(OCF)(OCF)OCF.
What is the InChIKey of 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride?
The InChIKey is DIJUBSRHETZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O7.FH/c9-1-16-7(6(14)15,17-2-10)8(18-3-11,19-4-12)20-5-13;/h1-5H2,(H,14,15);1H.
What are the key properties of 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride?
2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride has a molecular weight of 334.17 g/mol, XLogP of 1.29, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride is sourced from PubChem (CID 87449319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).