5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol

C17H24F12O — CID 121403452

IUPAC5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C17H24F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h30H,2-11H2,1H3
InChIKeyRZJRATRSNZSPBG-UHFFFAOYSA-N
MW472.35 g/mol
LogP7.32
Rot. Bonds15

About 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol

5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol (PubChem CID 121403452) has the molecular formula C17H24F12O and a molecular weight of 472.35 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
PubChem CID121403452
Molecular FormulaC17H24F12O
Molecular Weight472.35 g/mol
Exact Mass472.16
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C17H24F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h30H,2-11H2,1H3
InChIKeyRZJRATRSNZSPBG-UHFFFAOYSA-N
XLogP7.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.35
LogP ≤ 57.32
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 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-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
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
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
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
CID 121403333
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
CID 121403285
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol (CID 121403452) is 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol?
The InChIKey is RZJRATRSNZSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h30H,2-11H2,1H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol?
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol has a molecular weight of 472.35 g/mol, XLogP of 7.32, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol is sourced from PubChem (CID 121403452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).