1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol

C9H8F12O — CID 87670862

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C9H8F12O/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h22H,2-3H2,1H3
InChIKeyOFRIWKFVXCKVQB-UHFFFAOYSA-N
MW360.14 g/mol
LogP4.55
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol (PubChem CID 87670862) has the molecular formula C9H8F12O and a molecular weight of 360.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
PubChem CID87670862
Molecular FormulaC9H8F12O
Molecular Weight360.14 g/mol
Exact Mass360.04
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C9H8F12O/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h22H,2-3H2,1H3
InChIKeyOFRIWKFVXCKVQB-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol (CID 87670862) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol is CCCC(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-dodecafluorononan-1-ol?
The InChIKey is OFRIWKFVXCKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12O/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h22H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol has a molecular weight of 360.14 g/mol, XLogP of 4.55, 7 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-dodecafluorononan-1-ol is sourced from PubChem (CID 87670862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).