2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane

C22H44F2O — CID 138478654

IUPAC2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane
SMILESCC(C)CCCCCCC(C)(C)OCCC(C)CCCCC(F)CF
InChIInChI=1S/C22H44F2O/c1-19(2)12-8-6-7-11-16-22(4,5)25-17-15-20(3)13-9-10-14-21(24)18-23/h19-21H,6-18H2,1-5H3
InChIKeyGTKYTVLTSAMDFY-UHFFFAOYSA-N
MW362.59 g/mol
LogP7.67
Rot. Bonds17

About 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane

2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane (PubChem CID 138478654) has the molecular formula C22H44F2O and a molecular weight of 362.59 g/mol. Its IUPAC name is 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane.

Molecular Properties

Compound Name2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane
PubChem CID138478654
Molecular FormulaC22H44F2O
Molecular Weight362.59 g/mol
Exact Mass362.34
IUPAC Name2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane
SMILESCC(C)CCCCCCC(C)(C)OCCC(C)CCCCC(F)CF
InChIInChI=1S/C22H44F2O/c1-19(2)12-8-6-7-11-16-22(4,5)25-17-15-20(3)13-9-10-14-21(24)18-23/h19-21H,6-18H2,1-5H3
InChIKeyGTKYTVLTSAMDFY-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane?
The IUPAC name of 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane (CID 138478654) is 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane.
What is the SMILES notation for 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane?
The canonical SMILES for 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane is CC(C)CCCCCCC(C)(C)OCCC(C)CCCCC(F)CF.
What is the InChIKey of 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane?
The InChIKey is GTKYTVLTSAMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44F2O/c1-19(2)12-8-6-7-11-16-22(4,5)25-17-15-20(3)13-9-10-14-21(24)18-23/h19-21H,6-18H2,1-5H3.
What are the key properties of 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane?
2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane has a molecular weight of 362.59 g/mol, XLogP of 7.67, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-difluoro-3-methylnonoxy)-2,9-dimethyldecane is sourced from PubChem (CID 138478654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).