9,9,9-trifluorononanoic acid

C9H15F3O2 — CID 88612342

IUPAC9,9,9-trifluorononanoic acid
SMILESO=C(O)CCCCCCCC(F)(F)F
InChIInChI=1S/C9H15F3O2/c10-9(11,12)7-5-3-1-2-4-6-8(13)14/h1-7H2,(H,13,14)
InChIKeyDDBUKYRROMILCA-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.36
Rot. Bonds7

About 9,9,9-trifluorononanoic acid

9,9,9-trifluorononanoic acid (PubChem CID 88612342) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 9,9,9-trifluorononanoic acid.

Molecular Properties

Compound Name9,9,9-trifluorononanoic acid
PubChem CID88612342
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name9,9,9-trifluorononanoic acid
SMILESO=C(O)CCCCCCCC(F)(F)F
InChIInChI=1S/C9H15F3O2/c10-9(11,12)7-5-3-1-2-4-6-8(13)14/h1-7H2,(H,13,14)
InChIKeyDDBUKYRROMILCA-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.36
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

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Azelaic Acid
CID 2266
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Suberic acid
CID 10457
Dodecanedioic Acid
CID 12736
Tridecanoic acid
CID 12530
Perfluorooctanoic acid
CID 9554

Frequently Asked Questions

What is the IUPAC name of 9,9,9-trifluorononanoic acid?
The IUPAC name of 9,9,9-trifluorononanoic acid (CID 88612342) is 9,9,9-trifluorononanoic acid.
What is the SMILES notation for 9,9,9-trifluorononanoic acid?
The canonical SMILES for 9,9,9-trifluorononanoic acid is O=C(O)CCCCCCCC(F)(F)F.
What is the InChIKey of 9,9,9-trifluorononanoic acid?
The InChIKey is DDBUKYRROMILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)7-5-3-1-2-4-6-8(13)14/h1-7H2,(H,13,14).
What are the key properties of 9,9,9-trifluorononanoic acid?
9,9,9-trifluorononanoic acid has a molecular weight of 212.21 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,9-trifluorononanoic acid is sourced from PubChem (CID 88612342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).