7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol

C13H13F15O — CID 54057329

IUPAC7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
SMILESOCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F15O/c14-7(15,5-3-1-2-4-6-29)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h29H,1-6H2
InChIKeyLXDYZYHFMMEOTN-UHFFFAOYSA-N
MW470.22 g/mol
LogP6.30
Rot. Bonds10

About 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol

7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol (PubChem CID 54057329) has the molecular formula C13H13F15O and a molecular weight of 470.22 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
PubChem CID54057329
Molecular FormulaC13H13F15O
Molecular Weight470.22 g/mol
Exact Mass470.07
IUPAC Name7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
SMILESOCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F15O/c14-7(15,5-3-1-2-4-6-29)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h29H,1-6H2
InChIKeyLXDYZYHFMMEOTN-UHFFFAOYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.22
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol with MolForge

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Related Compounds

9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
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
CID 99769054
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octan-1-ol
CID 139794551
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
14-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane
CID 59389719
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
CID 121403408
5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-hexadecafluoro-11-(trifluoromethyl)dodecane-1,2-diol
CID 139903405
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecylphosphonic acid
CID 22630520

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol?
The IUPAC name of 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol (CID 54057329) is 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol is OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol?
The InChIKey is LXDYZYHFMMEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F15O/c14-7(15,5-3-1-2-4-6-29)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h29H,1-6H2.
What are the key properties of 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol?
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol has a molecular weight of 470.22 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol is sourced from PubChem (CID 54057329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).