2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid

C18H18F18O2 — CID 163324532

IUPAC2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid
SMILESO=C(O)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C18H18F18O2/c19-1(3(21)5(23)7(25)9(27)11(29)13(31)15(33)17(35)36)2(20)4(22)6(24)8(26)10(28)12(30)14(32)16(34)18(37)38/h1-17H,(H,37,38)
InChIKeyDQQWYFPUSZOIPI-UHFFFAOYSA-N
MW608.30 g/mol
LogP5.75
Rot. Bonds17

About 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid

2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid (PubChem CID 163324532) has the molecular formula C18H18F18O2 and a molecular weight of 608.30 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid
PubChem CID163324532
Molecular FormulaC18H18F18O2
Molecular Weight608.30 g/mol
Exact Mass608.10
IUPAC Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid
SMILESO=C(O)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C18H18F18O2/c19-1(3(21)5(23)7(25)9(27)11(29)13(31)15(33)17(35)36)2(20)4(22)6(24)8(26)10(28)12(30)14(32)16(34)18(37)38/h1-17H,(H,37,38)
InChIKeyDQQWYFPUSZOIPI-UHFFFAOYSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.30
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid (CID 163324532) is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid is O=C(O)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid?
The InChIKey is DQQWYFPUSZOIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F18O2/c19-1(3(21)5(23)7(25)9(27)11(29)13(31)15(33)17(35)36)2(20)4(22)6(24)8(26)10(28)12(30)14(32)16(34)18(37)38/h1-17H,(H,37,38).
What are the key properties of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid?
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid has a molecular weight of 608.30 g/mol, XLogP of 5.75, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid is sourced from PubChem (CID 163324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).