1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane

C6H6F8 — CID 154562847

IUPAC1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane
SMILESFCC(F)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8/c7-2-3(8)1-4(5(9,10)11)6(12,13)14/h3-4H,1-2H2
InChIKeyFHGKGNNXNBJRGR-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.42
Rot. Bonds3

About 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane

1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane (PubChem CID 154562847) has the molecular formula C6H6F8 and a molecular weight of 230.10 g/mol. Its IUPAC name is 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane
PubChem CID154562847
Molecular FormulaC6H6F8
Molecular Weight230.10 g/mol
Exact Mass230.03
IUPAC Name1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane
SMILESFCC(F)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8/c7-2-3(8)1-4(5(9,10)11)6(12,13)14/h3-4H,1-2H2
InChIKeyFHGKGNNXNBJRGR-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane (CID 154562847) is 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane is FCC(F)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane?
The InChIKey is FHGKGNNXNBJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8/c7-2-3(8)1-4(5(9,10)11)6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane?
1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane has a molecular weight of 230.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5-pentafluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 154562847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).