1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane

C13H23F5 — CID 87159144

IUPAC1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane
SMILESCC(CCCCC(C)(C)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C13H23F5/c1-10(7-5-6-8-11(2,3)14)9-12(4,15)13(16,17)18/h10H,5-9H2,1-4H3
InChIKeyAIHQVAMBOXEQER-UHFFFAOYSA-N
MW274.32 g/mol
LogP5.61
Rot. Bonds7

About 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane

1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane (PubChem CID 87159144) has the molecular formula C13H23F5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane.

Molecular Properties

Compound Name1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane
PubChem CID87159144
Molecular FormulaC13H23F5
Molecular Weight274.32 g/mol
Exact Mass274.17
IUPAC Name1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane
SMILESCC(CCCCC(C)(C)F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C13H23F5/c1-10(7-5-6-8-11(2,3)14)9-12(4,15)13(16,17)18/h10H,5-9H2,1-4H3
InChIKeyAIHQVAMBOXEQER-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6,8-trimethyltridecane
CID 123736183
2,2,4,8,10,10-hexamethylundecane
CID 54023173
pentane;7,7,9-trimethylpentadecane
CID 161309819
1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
CID 87159283
2-fluoro-N,13-dimethylpentadecan-2-amine
CID 134365966
2,2,7,13-tetramethyltetradecane
CID 164934007
2,2,7-trimethylundecane
CID 57491501
2,2,4-trimethyltetradecane
CID 19913540
2,2,13-trimethylpentadecane
CID 150334228
2,2,4-trimethylundecane
CID 57127021
6,7,7,7-tetrafluoro-6-methyl-4-(trifluoromethyl)heptan-1-ol
CID 59689373
4,4,6,12-tetramethyloctadecane
CID 123154666

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane?
The IUPAC name of 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane (CID 87159144) is 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane.
What is the SMILES notation for 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane?
The canonical SMILES for 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane is CC(CCCCC(C)(C)F)CC(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane?
The InChIKey is AIHQVAMBOXEQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F5/c1-10(7-5-6-8-11(2,3)14)9-12(4,15)13(16,17)18/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane?
1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane has a molecular weight of 274.32 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,9-pentafluoro-2,4,9-trimethyldecane is sourced from PubChem (CID 87159144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).