2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol

C14H16F12O — CID 121403327

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol
SMILESC=CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C14H16F12O/c1-2-3-4-5-6-7-9(15,16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8-27/h2,27H,1,3-8H2
InChIKeyNMTAUDWOIMXFHJ-UHFFFAOYSA-N
MW428.26 g/mol
LogP5.93
Rot. Bonds12

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol (PubChem CID 121403327) has the molecular formula C14H16F12O and a molecular weight of 428.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol
PubChem CID121403327
Molecular FormulaC14H16F12O
Molecular Weight428.26 g/mol
Exact Mass428.10
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol
SMILESC=CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C14H16F12O/c1-2-3-4-5-6-7-9(15,16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8-27/h2,27H,1,3-8H2
InChIKeyNMTAUDWOIMXFHJ-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.26
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
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12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol (CID 121403327) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol is C=CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol?
The InChIKey is NMTAUDWOIMXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F12O/c1-2-3-4-5-6-7-9(15,16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8-27/h2,27H,1,3-8H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol has a molecular weight of 428.26 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol is sourced from PubChem (CID 121403327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).