9,9-difluoro-7-hydroxy-8-methylnonanal

C10H18F2O2 — CID 138473518

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

About 9,9-difluoro-7-hydroxy-8-methylnonanal

9,9-difluoro-7-hydroxy-8-methylnonanal (PubChem CID 138473518) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 9,9-difluoro-7-hydroxy-8-methylnonanal.

Molecular Properties

Compound Name9,9-difluoro-7-hydroxy-8-methylnonanal
PubChem CID138473518
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name9,9-difluoro-7-hydroxy-8-methylnonanal
SMILESCC(C(F)F)C(O)CCCCCC=O
InChIInChI=1S/C10H18F2O2/c1-8(10(11)12)9(14)6-4-2-3-5-7-13/h7-10,14H,2-6H2,1H3
InChIKeyQDNYBZAMNQDUAC-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'}

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Related Compounds

5,5-Difluoro-6-hydroxy-2-methyldodecan-4-one
CID 89959957
3-Hydroxy-2-pentylnonanal
CID 10036753
11-Hydroxy-2-methylundecanal
CID 85840997
4,4-Difluoro-3-hydroxy-2-methylundecan-5-one
CID 13172562
1-Cyclohexyl-2,2-difluoro-3-hydroxyhexan-1-one
CID 13172569
1-Cyclohexyl-2,2-difluoro-3-hydroxy-4-methylpentan-1-one
CID 13172571
4-Fluoro-3-hydroxy-4-(trifluoromethyl)-5-undecanone
CID 13844048
4,4-Difluoro-3-hydroxy-2,2-dimethylundecan-5-one
CID 13977398
1,1,1-Trifluoro-3-(2-hydroxyethyl)octan-2-one
CID 88138337
2-(Fluoromethyl)-5-hydroxynonanal
CID 134300098
9,9-Difluoro-3-hydroxy-2-methylnonanal
CID 138473517
9,9-Difluoro-3-hydroxy-2-methylnonanoic acid
CID 138473525

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-7-hydroxy-8-methylnonanal?
The IUPAC name of 9,9-difluoro-7-hydroxy-8-methylnonanal (CID 138473518) is 9,9-difluoro-7-hydroxy-8-methylnonanal.
What is the SMILES notation for 9,9-difluoro-7-hydroxy-8-methylnonanal?
The canonical SMILES for 9,9-difluoro-7-hydroxy-8-methylnonanal is CC(C(F)F)C(O)CCCCCC=O.
What is the InChIKey of 9,9-difluoro-7-hydroxy-8-methylnonanal?
The InChIKey is QDNYBZAMNQDUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-8(10(11)12)9(14)6-4-2-3-5-7-13/h7-10,14H,2-6H2,1H3.
What are the key properties of 9,9-difluoro-7-hydroxy-8-methylnonanal?
9,9-difluoro-7-hydroxy-8-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-7-hydroxy-8-methylnonanal is sourced from PubChem (CID 138473518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).