9,9-difluoro-3-hydroxy-2-methylnonanal

C10H18F2O2 — CID 138473517

IUPAC9,9-difluoro-3-hydroxy-2-methylnonanal
SMILESCC(C=O)C(O)CCCCCC(F)F
InChIInChI=1S/C10H18F2O2/c1-8(7-13)9(14)5-3-2-4-6-10(11)12/h7-10,14H,2-6H2,1H3
InChIKeyHRFITHIPDFHYFO-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.40
Rot. Bonds8

About 9,9-difluoro-3-hydroxy-2-methylnonanal

9,9-difluoro-3-hydroxy-2-methylnonanal (PubChem CID 138473517) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 9,9-difluoro-3-hydroxy-2-methylnonanal.

Molecular Properties

Compound Name9,9-difluoro-3-hydroxy-2-methylnonanal
PubChem CID138473517
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name9,9-difluoro-3-hydroxy-2-methylnonanal
SMILESCC(C=O)C(O)CCCCCC(F)F
InChIInChI=1S/C10H18F2O2/c1-8(7-13)9(14)5-3-2-4-6-10(11)12/h7-10,14H,2-6H2,1H3
InChIKeyHRFITHIPDFHYFO-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-difluoro-3-hydroxy-2-methylnonanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-3-hydroxy-2-methylnonanal?
The IUPAC name of 9,9-difluoro-3-hydroxy-2-methylnonanal (CID 138473517) is 9,9-difluoro-3-hydroxy-2-methylnonanal.
What is the SMILES notation for 9,9-difluoro-3-hydroxy-2-methylnonanal?
The canonical SMILES for 9,9-difluoro-3-hydroxy-2-methylnonanal is CC(C=O)C(O)CCCCCC(F)F.
What is the InChIKey of 9,9-difluoro-3-hydroxy-2-methylnonanal?
The InChIKey is HRFITHIPDFHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-8(7-13)9(14)5-3-2-4-6-10(11)12/h7-10,14H,2-6H2,1H3.
What are the key properties of 9,9-difluoro-3-hydroxy-2-methylnonanal?
9,9-difluoro-3-hydroxy-2-methylnonanal has a molecular weight of 208.25 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-3-hydroxy-2-methylnonanal is sourced from PubChem (CID 138473517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).