2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid

C9H3F13O4 — CID 174334537

IUPAC2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid
SMILESO=C(O)C(F)(F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)=C(F)F
InChIInChI=1S/C9H3F13O4/c10-1(2(11)12)5(15,25)7(17,18)6(16,9(20,21)22)8(19,26)4(13,14)3(23)24/h25-26H,(H,23,24)
InChIKeyOSCKEPXAMOQPLP-UHFFFAOYSA-N
MW422.09 g/mol
LogP3.01
Rot. Bonds6

About 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid

2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid (PubChem CID 174334537) has the molecular formula C9H3F13O4 and a molecular weight of 422.09 g/mol. Its IUPAC name is 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid.

Molecular Properties

Compound Name2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid
PubChem CID174334537
Molecular FormulaC9H3F13O4
Molecular Weight422.09 g/mol
Exact Mass421.98
IUPAC Name2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid
SMILESO=C(O)C(F)(F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)=C(F)F
InChIInChI=1S/C9H3F13O4/c10-1(2(11)12)5(15,25)7(17,18)6(16,9(20,21)22)8(19,26)4(13,14)3(23)24/h25-26H,(H,23,24)
InChIKeyOSCKEPXAMOQPLP-UHFFFAOYSA-N
XLogP3.01
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.09
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid with MolForge

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Related Compounds

CID 174756549
CID 174756549
2,3,3,4,4,4-hexafluorobutane-1,1,1,2-tetracarboxylic acid;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 175365907
Pentafluoropropanoic acid sodium
CID 71650614
2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
CID 4118201
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
strontium;hydride;2,2,3,3,3-pentafluoropropanoic acid
CID 173226742
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CID 175541225
CID 87771874
CID 87771874

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid?
The IUPAC name of 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid (CID 174334537) is 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid.
What is the SMILES notation for 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid?
The canonical SMILES for 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid is O=C(O)C(F)(F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)C(O)(F)C(F)=C(F)F.
What is the InChIKey of 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid?
The InChIKey is OSCKEPXAMOQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F13O4/c10-1(2(11)12)5(15,25)7(17,18)6(16,9(20,21)22)8(19,26)4(13,14)3(23)24/h25-26H,(H,23,24).
What are the key properties of 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid?
2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid has a molecular weight of 422.09 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid is sourced from PubChem (CID 174334537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).