1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

C6H2F12 — CID 22743927

IUPAC1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESFC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15/h1-2H
InChIKeyYQUSLBCSOKMKMQ-UHFFFAOYSA-N
MW302.06 g/mol
LogP4.26
Rot. Bonds2

About 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (PubChem CID 22743927) has the molecular formula C6H2F12 and a molecular weight of 302.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
PubChem CID22743927
Molecular FormulaC6H2F12
Molecular Weight302.06 g/mol
Exact Mass302.00
IUPAC Name1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESFC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15/h1-2H
InChIKeyYQUSLBCSOKMKMQ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.06
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (CID 22743927) is 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is FC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The InChIKey is YQUSLBCSOKMKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15/h1-2H.
What are the key properties of 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane has a molecular weight of 302.06 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 22743927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).