2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane

C11H16F8 — CID 20770024

IUPAC2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane
SMILESCCC(F)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C11H16F8/c1-4-7(12)5-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3
InChIKeyXTZWPGAUMWOVBQ-UHFFFAOYSA-N
MW300.23 g/mol
LogP5.37
Rot. Bonds6

About 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane

2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane (PubChem CID 20770024) has the molecular formula C11H16F8 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane.

Molecular Properties

Compound Name2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane
PubChem CID20770024
Molecular FormulaC11H16F8
Molecular Weight300.23 g/mol
Exact Mass300.11
IUPAC Name2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane
SMILESCCC(F)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C11H16F8/c1-4-7(12)5-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3
InChIKeyXTZWPGAUMWOVBQ-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane?
The IUPAC name of 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane (CID 20770024) is 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane.
What is the SMILES notation for 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane?
The canonical SMILES for 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane is CCC(F)CC(C)(C(F)(F)F)C(F)(F)CC(C)(F)F.
What is the InChIKey of 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane?
The InChIKey is XTZWPGAUMWOVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8/c1-4-7(12)5-8(2,11(17,18)19)10(15,16)6-9(3,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane?
2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane has a molecular weight of 300.23 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7-pentafluoro-5-methyl-5-(trifluoromethyl)nonane is sourced from PubChem (CID 20770024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).