1,2,3,4,9-pentafluorononan-1-ol

C9H15F5O — CID 166745168

IUPAC1,2,3,4,9-pentafluorononan-1-ol
SMILESOC(F)C(F)C(F)C(F)CCCCCF
InChIInChI=1S/C9H15F5O/c10-5-3-1-2-4-6(11)7(12)8(13)9(14)15/h6-9,15H,1-5H2
InChIKeyLGURFYNPXWQAAM-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.82
Rot. Bonds8

About 1,2,3,4,9-pentafluorononan-1-ol

1,2,3,4,9-pentafluorononan-1-ol (PubChem CID 166745168) has the molecular formula C9H15F5O and a molecular weight of 234.21 g/mol. Its IUPAC name is 1,2,3,4,9-pentafluorononan-1-ol.

Molecular Properties

Compound Name1,2,3,4,9-pentafluorononan-1-ol
PubChem CID166745168
Molecular FormulaC9H15F5O
Molecular Weight234.21 g/mol
Exact Mass234.10
IUPAC Name1,2,3,4,9-pentafluorononan-1-ol
SMILESOC(F)C(F)C(F)C(F)CCCCCF
InChIInChI=1S/C9H15F5O/c10-5-3-1-2-4-6(11)7(12)8(13)9(14)15/h6-9,15H,1-5H2
InChIKeyLGURFYNPXWQAAM-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
CID 175292970
3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
CID 166745188
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
1,2,3,4,5,6-hexafluorohexan-1-ol
CID 87481869
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
sodium;hydride;1,2,3,4,5-pentafluoropentan-1-ol
CID 175062785
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
(2R)-8-fluorooctan-2-ol
CID 54347912
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,9-pentafluorononan-1-ol?
The IUPAC name of 1,2,3,4,9-pentafluorononan-1-ol (CID 166745168) is 1,2,3,4,9-pentafluorononan-1-ol.
What is the SMILES notation for 1,2,3,4,9-pentafluorononan-1-ol?
The canonical SMILES for 1,2,3,4,9-pentafluorononan-1-ol is OC(F)C(F)C(F)C(F)CCCCCF.
What is the InChIKey of 1,2,3,4,9-pentafluorononan-1-ol?
The InChIKey is LGURFYNPXWQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5O/c10-5-3-1-2-4-6(11)7(12)8(13)9(14)15/h6-9,15H,1-5H2.
What are the key properties of 1,2,3,4,9-pentafluorononan-1-ol?
1,2,3,4,9-pentafluorononan-1-ol has a molecular weight of 234.21 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,9-pentafluorononan-1-ol is sourced from PubChem (CID 166745168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).