4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane

C13H25F3 — CID 89233545

IUPAC4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane
SMILESCCC(C)(C)C(C)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C13H25F3/c1-8-10(3,4)12(7,14)13(15,16)11(5,6)9-2/h8-9H2,1-7H3
InChIKeyIPHNXEUBMCTEMJ-UHFFFAOYSA-N
MW238.34 g/mol
LogP5.22
Rot. Bonds5

About 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane

4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane (PubChem CID 89233545) has the molecular formula C13H25F3 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane.

Molecular Properties

Compound Name4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane
PubChem CID89233545
Molecular FormulaC13H25F3
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane
SMILESCCC(C)(C)C(C)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C13H25F3/c1-8-10(3,4)12(7,14)13(15,16)11(5,6)9-2/h8-9H2,1-7H3
InChIKeyIPHNXEUBMCTEMJ-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane?
The IUPAC name of 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane (CID 89233545) is 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane.
What is the SMILES notation for 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane?
The canonical SMILES for 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane is CCC(C)(C)C(C)(F)C(F)(F)C(C)(C)CC.
What is the InChIKey of 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane?
The InChIKey is IPHNXEUBMCTEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3/c1-8-10(3,4)12(7,14)13(15,16)11(5,6)9-2/h8-9H2,1-7H3.
What are the key properties of 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane?
4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane has a molecular weight of 238.34 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-3,3,5,6,6-pentamethyloctane is sourced from PubChem (CID 89233545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).