1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol

C13HF25O — CID 155293270

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C13HF25O/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39/h39H
InChIKeyLXHRQQQITFNIOV-UHFFFAOYSA-N
MW648.10 g/mol
LogP8.00
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol (PubChem CID 155293270) has the molecular formula C13HF25O and a molecular weight of 648.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
PubChem CID155293270
Molecular FormulaC13HF25O
Molecular Weight648.10 g/mol
Exact Mass647.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C13HF25O/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39/h39H
InChIKeyLXHRQQQITFNIOV-UHFFFAOYSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.10
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol with MolForge

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Related Compounds

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3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-docosafluoro-2-(trifluoromethyl)tridec-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol (CID 155293270) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol is OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol?
The InChIKey is LXHRQQQITFNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HF25O/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39/h39H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol has a molecular weight of 648.10 g/mol, XLogP of 8.00, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol is sourced from PubChem (CID 155293270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).