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

C9HF19O — CID 59118460

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19O/c10-1(3(12,13)14)2(11,6(18,19)20)5(17,8(24,25)26)29-9(27,28)4(15,16)7(21,22)23/h1H
InChIKeyRSWINCJZHHNNPY-UHFFFAOYSA-N
MW486.07 g/mol
LogP6.19
Rot. Bonds5

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

1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane (PubChem CID 59118460) has the molecular formula C9HF19O and a molecular weight of 486.07 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane
PubChem CID59118460
Molecular FormulaC9HF19O
Molecular Weight486.07 g/mol
Exact Mass485.97
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19O/c10-1(3(12,13)14)2(11,6(18,19)20)5(17,8(24,25)26)29-9(27,28)4(15,16)7(21,22)23/h1H
InChIKeyRSWINCJZHHNNPY-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.07
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane (CID 59118460) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane is FC(C(F)(F)F)C(F)(C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane?
The InChIKey is RSWINCJZHHNNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF19O/c10-1(3(12,13)14)2(11,6(18,19)20)5(17,8(24,25)26)29-9(27,28)4(15,16)7(21,22)23/h1H.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane has a molecular weight of 486.07 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(trifluoromethyl)pentane is sourced from PubChem (CID 59118460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).