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

C9HF19 — CID 15267638

IUPAC1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19/c10-2(5(14,15)16,6(17,18)19)1(4(12,13)9(26,27)28)3(11,7(20,21)22)8(23,24)25/h1H
InChIKeyPSWABSSVWUDAEI-UHFFFAOYSA-N
MW470.07 g/mol
LogP6.47
Rot. Bonds3

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

1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane (PubChem CID 15267638) has the molecular formula C9HF19 and a molecular weight of 470.07 g/mol. Its IUPAC name is 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
PubChem CID15267638
Molecular FormulaC9HF19
Molecular Weight470.07 g/mol
Exact Mass469.98
IUPAC Name1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19/c10-2(5(14,15)16,6(17,18)19)1(4(12,13)9(26,27)28)3(11,7(20,21)22)8(23,24)25/h1H
InChIKeyPSWABSSVWUDAEI-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.07
LogP ≤ 56.47
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 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane (CID 15267638) is 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane?
The InChIKey is PSWABSSVWUDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF19/c10-2(5(14,15)16,6(17,18)19)1(4(12,13)9(26,27)28)3(11,7(20,21)22)8(23,24)25/h1H.
What are the key properties of 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane?
1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane has a molecular weight of 470.07 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).