1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol

C8H5F13O — CID 18179202

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C8H5F13O/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,22H,1H3
InChIKeyKIRIXOGQHXHZKY-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.11
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol

1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol (PubChem CID 18179202) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol
PubChem CID18179202
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C8H5F13O/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,22H,1H3
InChIKeyKIRIXOGQHXHZKY-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-Tetrahydroperfluoro-1-decanol
CID 69619
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol
CID 69537
1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
CID 9779
2-(Perfluorodecyl)ethanol
CID 70083
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecan-1-ol
CID 67548
1H,1H,8H-Perfluoro-1-octanol
CID 2776291
2-(Perfluorododecyl)ethanol
CID 162368
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononan-1-ol
CID 2776181
Heptadecafluorooctan-1-ol
CID 14571268
Fluorotelomer alcohol 7:2
CID 4456432
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Nonadecafluoroundecan-1-ol
CID 13878520
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Tricosafluorotridecan-1-ol
CID 13878521

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol (CID 18179202) is 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol?
The InChIKey is KIRIXOGQHXHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2,22H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctan-1-ol has a molecular weight of 364.10 g/mol, XLogP of 4.11, 6 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-tridecafluorooctan-1-ol is sourced from PubChem (CID 18179202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).