9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol

C18H26F12O — CID 121403458

IUPAC9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCO
InChIInChI=1S/C18H26F12O/c1-2-3-10-13(19,20)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)11-8-6-4-5-7-9-12-31/h31H,2-12H2,1H3
InChIKeyFZBQPHJVFLSQQF-UHFFFAOYSA-N
MW486.38 g/mol
LogP7.71
Rot. Bonds16

About 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol

9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol (PubChem CID 121403458) has the molecular formula C18H26F12O and a molecular weight of 486.38 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
PubChem CID121403458
Molecular FormulaC18H26F12O
Molecular Weight486.38 g/mol
Exact Mass486.18
IUPAC Name9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCO
InChIInChI=1S/C18H26F12O/c1-2-3-10-13(19,20)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)11-8-6-4-5-7-9-12-31/h31H,2-12H2,1H3
InChIKeyFZBQPHJVFLSQQF-UHFFFAOYSA-N
XLogP7.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.38
LogP ≤ 57.71
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'}

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
CID 121403333

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol (CID 121403458) is 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol is CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCO.
What is the InChIKey of 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol?
The InChIKey is FZBQPHJVFLSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F12O/c1-2-3-10-13(19,20)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)11-8-6-4-5-7-9-12-31/h31H,2-12H2,1H3.
What are the key properties of 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol?
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol has a molecular weight of 486.38 g/mol, XLogP of 7.71, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol is sourced from PubChem (CID 121403458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).