3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol

C9H8F12O — CID 159243232

IUPAC3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C9H8F12O/c1-4(10,11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2-3-22/h22H,2-3H2,1H3
InChIKeyGRIMMHFOZILOKN-UHFFFAOYSA-N
MW360.14 g/mol
LogP4.20
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol (PubChem CID 159243232) has the molecular formula C9H8F12O and a molecular weight of 360.14 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol
PubChem CID159243232
Molecular FormulaC9H8F12O
Molecular Weight360.14 g/mol
Exact Mass360.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C9H8F12O/c1-4(10,11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2-3-22/h22H,2-3H2,1H3
InChIKeyGRIMMHFOZILOKN-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol with MolForge

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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
Dodecafluoroheptanol
CID 67639
2-(Perfluorodecyl)ethanol
CID 70083
1H,1H,10H,10H-perfluorodecane-1,10-diol
CID 2733404
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
(Perfluoroheptyl)methanol
CID 67543
1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-
CID 103202
2-(Perfluorotetradecyl)ethanol
CID 108999
2-(Perfluorododecyl)ethanol
CID 162368

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol (CID 159243232) is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol?
The InChIKey is GRIMMHFOZILOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12O/c1-4(10,11)6(14,15)8(18,19)9(20,21)7(16,17)5(12,13)2-3-22/h22H,2-3H2,1H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol?
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol has a molecular weight of 360.14 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol is sourced from PubChem (CID 159243232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).