(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid

C14HF25O2 — CID 139595298

IUPAC(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14HF25O2/c15-1(4(17,18)7(23,24)10(29,30)9(27,28)6(21,22)3(40)41)2(16)5(19,20)8(25,26)11(31,32)12(33,34)13(35,36)14(37,38)39/h(H,40,41)/b2-1+
InChIKeyHSKGYOGSOJQSKS-OWOJBTEDSA-N
MW676.11 g/mol
LogP8.14
Rot. Bonds11

About (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid

(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid (PubChem CID 139595298) has the molecular formula C14HF25O2 and a molecular weight of 676.11 g/mol. Its IUPAC name is (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid.

Molecular Properties

Compound Name(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid
PubChem CID139595298
Molecular FormulaC14HF25O2
Molecular Weight676.11 g/mol
Exact Mass675.96
IUPAC Name(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14HF25O2/c15-1(4(17,18)7(23,24)10(29,30)9(27,28)6(21,22)3(40)41)2(16)5(19,20)8(25,26)11(31,32)12(33,34)13(35,36)14(37,38)39/h(H,40,41)/b2-1+
InChIKeyHSKGYOGSOJQSKS-OWOJBTEDSA-N
XLogP8.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.11
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid?
The IUPAC name of (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid (CID 139595298) is (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid.
What is the SMILES notation for (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid?
The canonical SMILES for (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid is O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid?
The InChIKey is HSKGYOGSOJQSKS-OWOJBTEDSA-N. The full InChI is InChI=1S/C14HF25O2/c15-1(4(17,18)7(23,24)10(29,30)9(27,28)6(21,22)3(40)41)2(16)5(19,20)8(25,26)11(31,32)12(33,34)13(35,36)14(37,38)39/h(H,40,41)/b2-1+.
What are the key properties of (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid?
(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid has a molecular weight of 676.11 g/mol, XLogP of 8.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-enoic acid is sourced from PubChem (CID 139595298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).